Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T20401 | Target Info | |||
| Target Name | Carbonic anhydrase II (CA-II) | ||||
| Synonyms | Carbonic anhydrase C; Carbonic anhydrase 2; Carbonate dehydratase II; CAC | ||||
| Target Type | Successful Target | ||||
| Gene Name | CA2 | ||||
| Biochemical Class | Alpha-carbonic anhydrase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Famotidine | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the inhibitor famotidine | PDB:6G3Q | ||||
| Method | X-ray diffraction | Resolution | 1.01 Å | Mutation | No | [1] |
| PDB Sequence |
MSHHWGYGKH
10 NGPEHWHKDF20 PIAKGERQSP30 VDIDTHTAKY40 DPSLKPLSVS50 YDQATSLRIL 60 NNGHAFNVEF70 DDSQDKAVLK80 GGPLDGTYRL90 IQFHFHWGSL100 DGQGSEHTVD 110 KKKYAAELHL120 VHWNTKYGDF131 GKAVQQPDGL141 AVLGIFLKVG151 SAKPGLQKVV 161 DVLDSIKTKG171 KSADFTNFDP181 RGLLPESLDY191 WTYPGSLTTP201 PLLECVTWIV 211 LKEPISVSSE221 QVLKFRKLNF231 NGEGEPEELM241 VDNWRPAQPL251 KNRQIKASFK 261
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| Ligand Name: Acetazolamide | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II complexed with acetazolamide | PDB:3HS4 | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [2] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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HIS4
3.556
TRP5
3.491
GLY6
4.944
HIS10
4.415
ASN11
3.264
GLY12
4.487
HIS15
2.957
TRP16
3.567
LYS18
4.078
ASP19
2.730
PHE20
3.633
GLN92
3.097
HIS94
3.232
HIS96
3.272
GLU106
4.083
VAL109
3.771
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Ethoxzolamide | Ligand Info | |||||
| Structure Description | Crystal structure of chimeric carbonic anhydrase VI with ethoxzolamide. | PDB:6QL2 | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [3] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HTFQVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDYGKA134 QQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLT204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EZL or .EZL2 or .EZL3 or :3EZL;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Hydroquinone | Ligand Info | |||||
| Structure Description | Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors | PDB:4E3H | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [4] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HQE or .HQE2 or .HQE3 or :3HQE;style chemicals stick;color identity;select .A:92 or .A:94 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Cholic acid | Ligand Info | |||||
| Structure Description | Structure of cholate bound to human carbonic anhydrase II | PDB:4N16 | ||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | No | [5] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CHD or .CHD2 or .CHD3 or :3CHD;style chemicals stick;color identity;select .A:58 or .A:60 or .A:62 or .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG58
4.663
LEU60
3.822
ASN62
4.114
ASN67
4.671
GLU69
4.487
ILE91
3.074
GLN92
2.525
HIS94
2.968
HIS96
2.468
GLU106
4.787
HIS119
3.274
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Methazolamide | Ligand Info | |||||
| Structure Description | Joint X-ray/neutron structure of Human Carbonic Anhydrase II in complex with Methazolamide | PDB:5C8I | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | No | [6] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MZM or .MZM2 or .MZM3 or :3MZM;style chemicals stick;color identity;select .A:5 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Dichlorphenamide | Ligand Info | |||||
| Structure Description | The crystal structure of the human carbonic anhydrase II in complex with 4,5-dichloro-benzene-1,3-disulfonamide | PDB:2POU | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [7] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I7A or .I7A2 or .I7A3 or :3I7A;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: L-phenylalanine | Ligand Info | |||||
| Structure Description | Carbonic anhydrase activators. Activation of isoforms I, II, IV, VA, VII and XIV with L- and D- phenylalanine and crystallographic analysis of their adducts with isozyme II: sterospecific recognition within the active site of an enzyme and its consequences for the drug design, structure with L-phenylalanine | PDB:2FMG | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [8] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PHE or .PHE2 or .PHE3 or :3PHE;style chemicals stick;color identity;select .A:4 or .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:200 or .A:201; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Benzyl alcohol | Ligand Info | |||||
| Structure Description | Human CA II in complex with benzyl alcohol | PDB:7BI5 | ||||
| Method | X-ray diffraction | Resolution | 1.74 Å | Mutation | No | [9] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .010 or .0102 or .0103 or :3010;style chemicals stick;color identity;select .A:92 or .A:94 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Topiramate | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with topiramate | PDB:3HKU | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [10] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TOR or .TOR2 or .TOR3 or :3TOR;style chemicals stick;color identity;select .A:7 or .A:62 or .A:64 or .A:65 or .A:66 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Epinephrine | Ligand Info | |||||
| Structure Description | Carbonic anhydrase activators: Solution and X-ray crystallography for the interaction of andrenaline with various carbonic anhydrase isoforms | PDB:2HKK | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [11] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ALE or .ALE2 or .ALE3 or :3ALE;style chemicals stick;color identity;select .A:5 or .A:62 or .A:67 or .A:91 or .A:92 or .A:130 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Hydroxyurea | Ligand Info | |||||
| Structure Description | N-Hydroxyurea, a versatile zinc binding function in the design of metalloenzyme inhibitors | PDB:2GEH | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [12] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NHY or .NHY2 or .NHY3 or :3NHY;style chemicals stick;color identity;select .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Valdecoxib | Ligand Info | |||||
| Structure Description | Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II "selective" inhibitor Celecoxib | PDB:2AW1 | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | No | [13] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .COX or .COX2 or .COX3 or :3COX;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Celecoxib | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR | PDB:1OQ5 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [14] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CEL or .CEL2 or .CEL3 or :3CEL;style chemicals stick;color identity;select .A:62 or .A:67 or .A:69 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Dorzolamide | Ligand Info | |||||
| Structure Description | THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS | PDB:1CIL | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [15] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ETS or .ETS2 or .ETS3 or :3ETS;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Trichlormethiazide | Ligand Info | |||||
| Structure Description | carbonic anhydrase II in complex with trichloromethiazide as sulfonamide inhibitor | PDB:1ZGF | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [16] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TRU or .TRU2 or .TRU3 or :3TRU;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Urea | Ligand Info | |||||
| Structure Description | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH UREA | PDB:1BV3 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [17] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .URE or .URE2 or .URE3 or :3URE;style chemicals stick;color identity;select .A:64 or .A:94 or .A:96 or .A:106 or .A:119 or .A:198 or .A:199 or .A:200; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Acetohydroxamic acid | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II INHIBITOR: ACETOHYDROXAMATE | PDB:1AM6 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [18] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HAE or .HAE2 or .HAE3 or :3HAE;style chemicals stick;color identity;select .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Ergotidine | Ligand Info | |||||
| Structure Description | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH THE HISTAMINE ACTIVATOR | PDB:1AVN | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [19] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HSM or .HSM2 or .HSM3 or :3HSM;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:92 or .A:94; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Caffeic acid | Ligand Info | |||||
| Structure Description | THE CRYSTAL STRUCTURE OF THE COMPLEX OF HCAII WITH CAFFEIC ACID | PDB:6YRI | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [20] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHC or .DHC2 or .DHC3 or :3DHC;style chemicals stick;color identity;select .A:92 or .A:94 or .A:119 or .A:121 or .A:131 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Vitamin B3 | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II in complex with Nicotinic Acid | PDB:6MBV | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [21] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NIO or .NIO2 or .NIO3 or :3NIO;style chemicals stick;color identity;select .A:92 or .A:94 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Brinzolamide | Ligand Info | |||||
| Structure Description | Genetically engineered Carbonic Anhydrase IX in complex with Brinzolamide | PDB:4M2V | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | Yes | [22] |
| PDB Sequence |
HWGYGAHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BZ1 or .BZ12 or .BZ13 or :3BZ1;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
3.495
ASN62
4.017
HIS64
3.576
LEU91
3.259
GLN92
2.425
HIS94
2.761
HIS96
3.379
GLU106
4.147
HIS119
3.138
VAL121
3.072
VAL131
2.870
GLY132
3.073
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Sulfanilamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 4-Aminobenzenesulfonamide | PDB:6RL9 | ||||
| Method | X-ray diffraction | Resolution | 1.00 Å | Mutation | No | [23] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SAN or .SAN2 or .SAN3 or :3SAN;style chemicals stick;color identity;select .A:3 or .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:58 or .A:60 or .A:62 or .A:67 or .A:69 or .A:70 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS3
2.996
HIS4
3.639
TRP5
2.716
GLY6
4.276
HIS10
3.277
ASN11
3.033
GLY12
4.873
HIS15
2.824
TRP16
2.432
HIS17
4.898
LYS18
2.505
ASP19
2.326
PHE20
3.415
ARG58
4.006
LEU60
3.275
ASN62
4.856
ASN67
2.364
GLU69
2.634
PHE70
4.430
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| Ligand Name: Salicyclic acid | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fragment-like inhibitor. | PDB:5M78 | ||||
| Method | X-ray diffraction | Resolution | 1.08 Å | Mutation | No | [24] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SAL or .SAL2 or .SAL3 or :3SAL;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Furosemide | Ligand Info | |||||
| Structure Description | Atomic resolution structure of Human Carbonic Anhydrase II in complex with furosemide | PDB:6SG0 | ||||
| Method | X-ray diffraction | Resolution | 1.13 Å | Mutation | No | [25] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUN or .FUN2 or .FUN3 or :3FUN;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:65 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.871
ASN62
4.137
HIS64
1.940
ALA65
4.897
ASN67
4.323
GLN92
3.617
HIS94
2.698
HIS96
3.306
GLU106
4.116
HIS119
3.003
VAL121
3.244
PHE131
2.342
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: INCB24360 | Ligand Info | |||||
| Structure Description | Polypharmacology of Epacadostat: a Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII | PDB:6IC2 | ||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | No | [26] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BBJ or .BBJ2 or .BBJ3 or :3BBJ;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Xenon | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with Cryptophane biosensor and xenon | PDB:3CYU | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [27] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XE or .XE2 or .XE3 or :3XE;style chemicals stick;color identity;select .A:97 or .A:116 or .A:148 or .A:218 or .A:223 or .A:226; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: CG-100649 | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with polmacoxib | PDB:5GMN | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [28] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .949 or .9492 or .9493 or :3949;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:123 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Sulthiame | Ligand Info | |||||
| Structure Description | Carbonic anhydrase inhibitors. Interaction of the antiepileptic drug sulthiame with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies | PDB:2Q1Q | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [29] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OSP or .OSP2 or .OSP3 or :3OSP;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: STX-140 | Ligand Info | |||||
| Structure Description | Crystal structure analysis of the human carbonic anhydrase II in complex with a 2-substituted estradiol bis-sulfamate | PDB:2GD8 | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | No | [30] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PO1 or .PO12 or .PO13 or :3PO1;style chemicals stick;color identity;select .A:5 or .A:60 or .A:62 or .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:132 or .A:133 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.700
LEU60
3.897
ASN62
2.833
ASN67
2.829
GLU69
3.780
ILE91
3.730
GLN92
3.002
HIS94
3.084
HIS96
3.333
GLU106
4.160
HIS119
3.373
VAL121
3.960
ASP130
3.470
|
|||||
| Ligand Name: STX 64 | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II complexed with 667-coumate | PDB:1TTM | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [31] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .667 or .6672 or .6673 or :3667;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: P-toluenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2). | PDB:4YXI | ||||
| Method | X-ray diffraction | Resolution | 0.96 Å | Mutation | No | [32] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4J8 or .4J82 or .4J83 or :34J8;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:180 or .A:182 or .A:183 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-(4-sulfamoylphenyl)propanoic acid | Ligand Info | |||||
| Structure Description | Structure of inhibitor binding to Carbonic Anhydrase II | PDB:2NNO | ||||
| Method | X-ray diffraction | Resolution | 1.01 Å | Mutation | No | [33] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLEVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M28 or .M282 or .M283 or :3M28;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.382
TRP5
3.504
HIS10
3.573
ASN11
3.623
GLY12
4.552
HIS15
2.882
TRP16
3.262
HIS17
4.886
LYS18
4.030
ASP19
2.729
PHE20
3.674
GLN92
3.994
HIS94
3.242
|
|||||
| Ligand Name: Benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1). | PDB:4YX4 | ||||
| Method | X-ray diffraction | Resolution | 1.01 Å | Mutation | No | [32] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FB2 or .FB22 or .FB23 or :3FB2;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | Ligand Info | |||||
| Structure Description | Structure of inhibitor binding to Carbonic Anhydrase II | PDB:2NNS | ||||
| Method | X-ray diffraction | Resolution | 1.03 Å | Mutation | No | [33] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLEVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M25 or .M252 or .M253 or :3M25;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.851
TRP5
3.454
HIS10
3.447
ASN11
3.533
GLY12
4.607
HIS15
2.884
TRP16
3.184
HIS17
4.866
LYS18
4.117
ASP19
2.746
PHE20
3.628
GLN92
3.856
HIS94
3.226
HIS96
3.330
|
|||||
| Ligand Name: 4-methylimidazole | Ligand Info | |||||
| Structure Description | Site Specific Mutant (H64A) of Human Carbonic Anhydrase II at high resolution | PDB:1MOO | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | Yes | [34] |
| PDB Sequence |
WGYGKHNGPE
14 HWHKDFPIAK24 GERQSPVDID34 THTAKYDPSL44 KPLSVSYDQA54 TSLRILNNGA 64 AFNVEFDDSQ74 DKAVLKGGPL84 DGTYRLIQFH94 FHWGSLDGQG104 SEHTVDKKKY 114 AAELHLVHWN124 TKYGDFGKAV135 QQPDGLAVLG145 IFLKVGSAKP155 GLQKVVDVLD 165 SIKTKGKSAD175 FTNFDPRGLL185 PESLDYWTYP195 GSLTTPPLLE205 CVTWIVLKEP 215 ISVSSEQVLK225 FRKLNFNGEG235 EPEELMVDNW245 RPAQPLKNRQ255 IKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4MZ or .4MZ2 or .4MZ3 or :34MZ;style chemicals stick;color identity;select .A:5 or .A:6 or .A:7 or .A:62 or .A:63 or .A:64 or .A:69 or .A:70 or .A:72 or .A:91 or .A:92 or .A:170; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-(2-Hydroxy-ethyl)-benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (5). | PDB:4YYT | ||||
| Method | X-ray diffraction | Resolution | 1.07 Å | Mutation | No | [32] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S2O or .S2O2 or .S2O3 or :3S2O;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:58 or .A:60 or .A:67 or .A:69 or .A:70 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:102 or .A:106 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.753
TRP5
3.499
HIS10
3.449
ASN11
3.718
GLY12
4.643
HIS15
2.963
TRP16
3.227
HIS17
4.904
LYS18
4.197
ASP19
2.747
PHE20
3.583
ARG58
4.748
LEU60
3.970
ASN67
3.123
GLU69
2.658
PHE70
4.181
ASP72
4.100
ILE91
3.458
GLN92
3.210
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE | Ligand Info | |||||
| Structure Description | Structure of inhibitor binding to Carbonic Anhydrase II | PDB:2NNV | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [33] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLEVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M29 or .M292 or .M293 or :3M29;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.804
TRP5
3.525
HIS10
3.234
ASN11
3.697
GLY12
4.592
HIS15
2.889
TRP16
3.247
HIS17
4.891
LYS18
4.020
ASP19
2.722
PHE20
3.596
GLN92
3.798
HIS94
3.252
HIS96
3.287
|
|||||
| Ligand Name: 3-(4'-Hydroxyphenyl)diazenylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II with an azobenzene inhibitor (1d) | PDB:5BYI | ||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | No | [35] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4WA or .4WA2 or .4WA3 or :34WA;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-(2-AMINOETHYL)BENZENESULFONAMIDE | Ligand Info | |||||
| Structure Description | Structure of inhibitor binding to Carbonic Anhydrase II | PDB:2NNG | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [33] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LEVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZYX or .ZYX2 or .ZYX3 or :3ZYX;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-amino-6-chlorobenzene-1,3-disulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with Althiazide | PDB:3L14 | ||||
| Method | X-ray diffraction | Resolution | 1.22 Å | Mutation | No | [36] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I7B or .I7B2 or .I7B3 or :3I7B;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Resorcinol | Ligand Info | |||||
| Structure Description | Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors | PDB:4E49 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [4] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RCO or .RCO2 or .RCO3 or :3RCO;style chemicals stick;color identity;select .A:34 or .A:37 or .A:57 or .A:60 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:91 or .A:92 or .A:94 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP34
2.585
THR37
3.620
LEU57
4.832
LEU60
4.400
ASN67
2.861
GLU69
2.517
PHE70
2.680
ASP71
4.699
ASP72
2.694
ILE91
3.524
GLN92
3.463
HIS94
4.182
|
|||||
| Ligand Name: 2-ethylestradiol 3,17-O,O-bis-sulfamate | Ligand Info | |||||
| Structure Description | Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3,17-O,O-bis-sulfamate | PDB:3OIK | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [37] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHSFQVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WZB or .WZB2 or .WZB3 or :3WZB;style chemicals stick;color identity;select .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: SACCHARIN | Ligand Info | |||||
| Structure Description | Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin). | PDB:6FJJ | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [38] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHSFQVTFDD72 SQDKAVLKGG82 PLDGTYRLLQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTEGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 AECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LSA or .LSA2 or .LSA3 or :3LSA;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:206 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Tropolone | Ligand Info | |||||
| Structure Description | Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 L198G | PDB:5THI | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [39] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSGTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0TR or .0TR2 or .0TR3 or :30TR;style chemicals stick;color identity;select .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-(2-Phenylacetamido)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with 2-{[4-AMINO-3-(3-HYDROXYPROP-1-YN-1-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]METHYL}-5-METHYL-3-(2-METHYLPHENYL)QUINAZOLIN-4(3H)-ONE | PDB:3OYS | ||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | No | [40] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OYS or .OYS2 or .OYS3 or :3OYS;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Hydroxybenzoicacid | Ligand Info | |||||
| Structure Description | Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors | PDB:4E3G | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [4] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PHB or .PHB2 or .PHB3 or :3PHB;style chemicals stick;color identity;select .A:92 or .A:94 or .A:119 or .A:121 or .A:131 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: D-Phenylalanine | Ligand Info | |||||
| Structure Description | Carbonic anhydrase activators. Activation of isoforms I, II, IV, VA, VII and XIV with L- and D- phenylalanine, structure with D-Phenylalanine. | PDB:2FMZ | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [8] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DPN or .DPN2 or .DPN3 or :3DPN;style chemicals stick;color identity;select .A:4 or .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:200 or .A:201 or .A:202; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Thiophene sulfonamide | Ligand Info | |||||
| Structure Description | Room temperature crystal structure of human carbonic anhydrase II in complex with thiophene-2-sulfonamide | PDB:4N0X | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [41] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EVJ or .EVJ2 or .EVJ3 or :3EVJ;style chemicals stick;color identity;select .B:92 or .B:94 or .B:96 or .B:106 or .B:119 or .B:121 or .B:131 or .B:141 or .B:143 or .B:197 or .B:198 or .B:199 or .B:200 or .B:201 or .B:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: M-Phenoxybenzoic Acid For Cis-Isomer | Ligand Info | |||||
| Structure Description | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | PDB:5FLT | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [42] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VJJ or .VJJ2 or .VJJ3 or :3VJJ;style chemicals stick;color identity;select .A:92 or .A:94 or .A:119 or .A:121 or .A:131 or .A:135 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Benzolamide | Ligand Info | |||||
| Structure Description | Use of a carbonic Anhydrase II, IX Active-site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | PDB:3D8W | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [43] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D8W or .D8W2 or .D8W3 or :3D8W;style chemicals stick;color identity;select .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2,4-Disulfamyltrifluoromethylaniline | Ligand Info | |||||
| Structure Description | The crystal structure of the human carbonic anhydrase II in complex with 4-amino-6-trifluoromethyl-benzene-1,3-disulfonamide | PDB:2POW | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [7] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I7C or .I7C2 or .I7C3 or :3I7C;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1,2,4-Triazole | Ligand Info | |||||
| Structure Description | THE COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND THE AROMATIC INHIBITOR 1,2,4-TRIAZOLE | PDB:1CRA | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [44] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TRI or .TRI2 or .TRI3 or :3TRI;style chemicals stick;color identity;select .A:94 or .A:96 or .A:106 or .A:119 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: D-histidine | Ligand Info | |||||
| Structure Description | Carbonic anhydrase activators. Activation of isozymes I, II, IV, VA, VII and XIV with L- and D-histidine and crystallographic analysis of their adducts with isoform II: engineering proton transfer processes within the active site of an enzyme | PDB:2EZ7 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [45] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DHI or .DHI2 or .DHI3 or :3DHI;style chemicals stick;color identity;select .A:4 or .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:200 or .A:201 or .A:202; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Spermine | Ligand Info | |||||
| Structure Description | Polyamines inhibit carbonic anhydrases | PDB:3KWA | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [46] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SPM or .SPM2 or .SPM3 or :3SPM;style chemicals stick;color identity;select .A:64 or .A:67 or .A:92 or .A:94 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-hydroxysulfamide | Ligand Info | |||||
| Structure Description | Crystal structure of the Carbonic Anhydrase II complexed with hydroxysulfamide inhibitor | PDB:2O4Z | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [47] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HSW or .HSW2 or .HSW3 or :3HSW;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Decyl sulfamate | Ligand Info | |||||
| Structure Description | The crystal structure of the human carbonic anhydrase II in complex with an aliphatic sulfamate inhibitor | PDB:3IBU | ||||
| Method | X-ray diffraction | Resolution | 1.41 Å | Mutation | No | [48] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O48 or .O482 or .O483 or :3O48;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE | Ligand Info | |||||
| Structure Description | carbonic anhydrase II in complex with ethoxzolamidphenole as sulfonamide inhibitor | PDB:1ZFQ | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [49] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZEC or .ZEC2 or .ZEC3 or :3ZEC;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
3.298
TRP5
3.575
HIS10
3.586
ASN11
3.657
GLY12
4.601
HIS15
3.025
TRP16
3.271
LYS18
4.235
ASP19
2.724
PHE20
3.658
GLN92
4.002
HIS94
3.141
HIS96
3.382
|
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| Ligand Name: CL-5343 | Ligand Info | |||||
| Structure Description | Crystal structure of the human carbonic anhydrase II in complex with the 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor. | PDB:2HNC | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [50] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1SA or .1SA2 or .1SA3 or :31SA;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Octane-1,8-diyl disulfamate | Ligand Info | |||||
| Structure Description | The crystal structure of the human carbonic anhydrase II in complex with an aliphatic bis-sulfamate inhibitor | PDB:3IBL | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [48] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O59 or .O592 or .O593 or :3O59;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2,3-dihydro-1H-indene-5-sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the complex of hcaii with an indane-sulfonamide inhibitor | PDB:2QOA | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [51] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MAJ or .MAJ2 or .MAJ3 or :3MAJ;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
3.701
TRP5
3.412
HIS10
3.187
ASN11
3.632
GLY12
4.283
HIS15
2.759
TRP16
3.249
HIS17
4.924
LYS18
3.994
ASP19
2.831
PHE20
3.620
GLN92
3.679
HIS94
3.297
|
|||||
| Ligand Name: 2-methoxyestradiol-17-O-sulfamate | Ligand Info | |||||
| Structure Description | Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. | PDB:2X7S | ||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | No | [52] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 DKAVLKGGPL84 DGTYRLIQFH94 FHWGSLDGQG104 SEHTVDKKKY 114 AAELHLVHWN124 TKYGDFGKAV134 QQPDGLAVLG144 IFLKVGSAKP154 GLQKVVDVLD 164 SIKTKGKSAD174 FTNFDPRGLL184 PESLDYWTYP194 GSLTTPPLLE204 CVTWIVLKEP 214 ISVSSEQVLK224 FRKLNFNGEG234 EPEELMVDNW244 RPAQPLKNRQ254 IKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WZC or .WZC2 or .WZC3 or :3WZC;style chemicals stick;color identity;select .A:60 or .A:62 or .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:129 or .A:130 or .A:131 or .A:132 or .A:134 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU60
3.585
ASN62
2.800
ASN67
2.725
GLU69
3.722
ILE91
3.324
GLN92
3.426
HIS94
3.129
HIS96
3.501
GLU106
4.174
HIS119
3.359
VAL121
4.029
ASP129
3.291
PHE130
3.681
|
|||||
| Ligand Name: 2-Mercapto-N-(4-sulfamoyl-phenyl)-benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human carbonic anhydrase II in complex with a hypoxia-activatable sulfonamide. | PDB:2HD6 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [53] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOS or .BOS2 or .BOS3 or :3BOS;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3-DIFLUOROPHENYL)METHYL]-BENZAMIDE | PDB:1G52 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [54] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F2B or .F2B2 or .F2B3 or :3F2B;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(2-Flouro-Benzyl)-4-Sulfamoyl-Benzamide | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2-FLUOROPHENYL)METHYL]-BENZAMIDE | PDB:1G45 | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | Yes | [54] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FSB or .FSB2 or .FSB3 or :3FSB;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(2,6-Diflouro-Benzyl)-4-Sulfamoyl-Benzamide | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,6-DIFLUOROPHENYL)METHYL]-BENZAMIDE | PDB:1G48 | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | Yes | [54] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6B or .F6B2 or .F6B3 or :3F6B;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Octyl sulfamate | Ligand Info | |||||
| Structure Description | The crystal structure of the human carbonic anhydrase II in complex with an aliphatic sulfamate inhibitor | PDB:3IBI | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [48] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOW or .BOW2 or .BOW3 or :3BOW;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-Benzyl-4-Sulfamoyl-benzamide | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-PHENYLMETHYLBENZAMIDE | PDB:1G4O | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | Yes | [54] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BSB or .BSB2 or .BSB3 or :3BSB;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-Mercuri-4-Aminobenzenesulfonamide | Ligand Info | |||||
| Structure Description | CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H | PDB:3CA2 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [55] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AMS or .AMS2 or .AMS3 or :3AMS;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[2-(1h-Indol-5-Yl)-Butyl]-4-Sulfamoyl-Benzamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Complexed With N-[2-(1H-Indol-5-yl)-butyl]-4-sulfamoyl-benzamide | PDB:1IF9 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [56] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SBB or .SBB2 or .SBB3 or :3SBB;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [3H]histidine | Ligand Info | |||||
| Structure Description | Carbonic anhydrase activators: X-ray crystal structure of the adduct of human isozyme II with L-histidine as a platform for the design of stronger activators | PDB:2ABE | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [57] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HIS or .HIS2 or .HIS3 or :3HIS;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:200 or .A:201 or .A:202; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: AL5927 | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II INHIBITOR | PDB:1BN4 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [58] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AL9 or .AL92 or .AL93 or :3AL9;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Dansylamide | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKL INHIBITOR 5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONAMIDE | PDB:1OKL | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [59] |
| PDB Sequence |
WGYGKHNGPE
14 HWHKDFPIAK24 GERQSPVDID34 THTAKYDPSL44 KPLSVSYDQA54 TSLRILNNGH 64 AFNVEFDDSQ74 DKAVLKGGPL84 DGTYRLIQFH94 FHWGSLDGQG104 SEHTVDKKKY 114 AAELHLVHWN124 TKYGDFGKAV134 QQPDGLAVLG144 IFLKVGSAKP154 GLQKVVDVLD 164 SIKTKGKSAD174 FTNFDPRGLL184 PESLDYWTYP194 GSLTTPPLLE204 CVTWIVLKEP 214 ISVSSEQVLK224 FRKLNFNGEG234 EPEELMVDNW244 RPAQPLKNRQ254 IKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MNS or .MNS2 or .MNS3 or :3MNS;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:206 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: AL5300 | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II INHIBITOR | PDB:1BNU | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [58] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AL3 or .AL32 or .AL33 or :3AL3;style chemicals stick;color identity;select .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: AL5424 | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II INHIBITOR | PDB:1BNT | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [58] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AL2 or .AL22 or .AL23 or :3AL2;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-Sulfonamide-[1-(4-Aminobutane)]Benzamide | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKM INHIBITOR 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE | PDB:1OKM | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [60] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SAB or .SAB2 or .SAB3 or :3SAB;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: AL6528 | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II INHIBITOR | PDB:1BN3 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [58] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AL6 or .AL62 or .AL63 or :3AL6;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Decane-1,10-diyl disulfamate | Ligand Info | |||||
| Structure Description | The crystal structure of the human carbonic anhydrase II in complex with an aliphatic bis-sulfamate inhibitor | PDB:3IBN | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [48] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O60 or .O602 or .O603 or :3O60;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II INHIBITOR | PDB:1BNW | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [58] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TPD or .TPD2 or .TPD3 or :3TPD;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: AL7182 | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II INHIBITOR | PDB:1BNN | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [58] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AL1 or .AL12 or .AL13 or :3AL1;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: AL4623 | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II INHIBITOR | PDB:1BNQ | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [58] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AL4 or .AL42 or .AL43 or :3AL4;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
3.565
ASN62
4.308
HIS64
3.572
GLN92
3.116
HIS94
3.274
HIS96
3.395
GLU106
4.108
HIS119
3.447
VAL121
3.606
PHE131
2.985
VAL135
4.057
|
|||||
| Ligand Name: AL7099A | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II INHIBITOR | PDB:1BNV | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [58] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AL7 or .AL72 or .AL73 or :3AL7;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.388
ASN62
4.631
HIS64
4.828
GLN92
2.279
HIS94
3.141
HIS96
3.028
GLU106
3.758
HIS119
3.121
VAL121
3.898
PHE131
3.085
VAL135
4.241
|
|||||
| Ligand Name: Al7089a | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II INHIBITOR | PDB:1BNM | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [58] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AL8 or .AL82 or .AL83 or :3AL8;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.268
ASN62
4.615
HIS64
4.354
GLN92
2.292
HIS94
2.985
HIS96
3.071
GLU106
4.115
HIS119
3.392
VAL121
3.681
PHE131
3.329
VAL135
3.839
|
|||||
| Ligand Name: Benzo[c][1,2]oxaborol-1(3H)-ol | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH 7.4 | PDB:5JQT | ||||
| Method | X-ray diffraction | Resolution | 1.36 Å | Mutation | No | [61] |
| PDB Sequence |
MSHHWGYGKH
10 NGPEHWHKDF20 PIAKGERQSP30 VDIDTHTAKY40 DPSLKPLSVS50 YDQATSLRIL 60 NNGHAFNVEF70 DDSQDKAVLK80 GGPLDGTYRL90 IQFHFHWGSL100 DGQGSEHTVD 110 KKKYAAELHL120 VHWNTKYGDF131 GKAVQQPDGL141 AVLGIFLKVG151 SAKPGLQKVV 161 DVLDSIKTKG171 KSADFTNFDP181 RGLLPESLDY191 WTYPGSLTTP201 PLLECVTWIV 211 LKEPISVSSE221 QVLKFRKLNF231 NGEGEPEELM241 VDNWRPAQPL251 KNRQIKASFK 261
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6M9 or .6M92 or .6M93 or :36M9;style chemicals stick;color identity;select .A:2 or .A:3 or .A:4 or .A:5 or .A:10 or .A:11 or .A:15 or .A:18 or .A:19; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Benzothiazole-2-sulfonic acid amide | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II (F131Y/L198A) complexed with benzo[d]thiazole-2-sulfonamide | PDB:5JGS | ||||
| Method | X-ray diffraction | Resolution | 1.11 Å | Mutation | Yes | [62] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDYGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSATTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EVF or .EVF2 or .EVF3 or :3EVF;style chemicals stick;color identity;select .B:4 or .B:5 or .B:6 or .B:10 or .B:11 or .B:12 or .B:15 or .B:16 or .B:17 or .B:18 or .B:19 or .B:20 or .B:92 or .B:94 or .B:96 or .B:106 or .B:119 or .B:121 or .B:130 or .B:134 or .B:140 or .B:142 or .B:196 or .B:197 or .B:198 or .B:199 or .B:200 or .B:201 or .B:202 or .B:203 or .B:206 or .B:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
3.286
TRP5
2.508
GLY6
3.769
HIS10
2.721
ASN11
2.758
GLY12
3.758
HIS15
2.755
TRP16
1.645
HIS17
4.778
LYS18
3.098
ASP19
2.846
PHE20
2.840
GLN92
4.313
HIS94
2.544
HIS96
2.829
GLU106
3.632
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Glutarate | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Inhibitor RA13 | PDB:5NYA | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [63] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GUA or .GUA2 or .GUA3 or :3GUA;style chemicals stick;color identity;select .A:17 or .A:18 or .A:19 or .A:21; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Ferulic acid | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II in complex with Ferulic Acid | PDB:6MBY | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [21] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FER or .FER2 or .FER3 or :3FER;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[2-(2-Thienyl)acetamido]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human CAII bound to N-(4-sulfamoylphenyl)-2-(thiophen-2-yl) acetamide | PDB:3R16 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [64] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5UN or .5UN2 or .5UN3 or :35UN;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(2-Phenylacetamidomethyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Structure of human carbonic anhydrase II bound to a benzene sulfonamide | PDB:4ITP | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [65] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1GD or .1GD2 or .1GD3 or :31GD;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Hydroxycinnamic acid | Ligand Info | |||||
| Structure Description | Deciphering the Mechanism of Carbonic Anhydrase Inhibition with Coumarins and Thiocoumarins | PDB:5BNL | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [66] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2HC or .2HC2 or .2HC3 or :32HC;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:91 or .A:92 or .A:131 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Beta-D-Glucose | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 4-cyanobenzenesulfonamide | PDB:6ROB | ||||
| Method | X-ray diffraction | Resolution | 0.93 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BGC or .BGC2 or .BGC3 or :3BGC;style chemicals stick;color identity;select .A:39 or .A:52 or .A:53 or .A:54 or .A:55 or .A:178 or .A:179 or .A:180 or .A:182 or .A:255 or .A:257; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2,6-difluorobenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | PDB:6ROE | ||||
| Method | X-ray diffraction | Resolution | 0.94 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FBT or .FBT2 or .FBT3 or :3FBT;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
2.829
TRP5
2.704
GLY6
4.363
HIS10
3.824
ASN11
3.240
GLY12
4.582
HIS15
2.186
TRP16
2.475
LYS18
3.158
ASP19
2.750
PHE20
2.997
GLN92
3.689
HIS94
2.557
HIS96
3.292
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-Nitro-benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 4-Nitrobenzenesulfonamide. | PDB:6RH4 | ||||
| Method | X-ray diffraction | Resolution | 0.95 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4NZ or .4NZ2 or .4NZ3 or :34NZ;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.813
TRP5
2.724
GLY6
4.443
HIS10
3.523
ASN11
3.066
GLY12
4.563
HIS15
2.953
TRP16
2.330
HIS17
4.918
LYS18
3.300
ASP19
2.741
PHE20
2.917
GLN92
3.679
HIS94
2.604
HIS96
3.362
|
|||||
| Ligand Name: 4-Flourobenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with a fluorinated Benzenesulfonamide. | PDB:6RKN | ||||
| Method | X-ray diffraction | Resolution | 0.96 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FBS or .FBS2 or .FBS3 or :3FBS;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.668
TRP5
2.660
GLY6
4.405
HIS10
3.532
ASN11
3.167
GLY12
4.509
HIS15
2.999
TRP16
2.415
LYS18
3.472
ASP19
2.731
PHE20
3.019
GLN92
3.620
HIS94
2.683
HIS96
3.352
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Carzenide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 4-Carboxybenzenesulfonamide | PDB:6RFH | ||||
| Method | X-ray diffraction | Resolution | 0.97 Å | Mutation | No | [67] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4SO or .4SO2 or .4SO3 or :34SO;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:57 or .A:69 or .A:70 or .A:71 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.678
TRP5
2.539
GLY6
4.273
HIS10
3.479
ASN11
2.936
GLY12
4.516
HIS15
2.922
TRP16
2.325
HIS17
4.910
LYS18
3.362
ASP19
2.743
PHE20
3.014
LEU57
2.563
GLU69
2.836
PHE70
2.743
ASP71
3.070
ASP72
2.694
ILE91
2.863
|
|||||
| Ligand Name: 3,5-difluorobenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | PDB:6RRG | ||||
| Method | X-ray diffraction | Resolution | 1.13 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FBU or .FBU2 or .FBU3 or :3FBU;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (4-Sulfamoyl-phenyl)-thiocarbamic acid O-(2-thiophen-3-YL-ethyl) ester | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II with a sulfonamide inhibitor | PDB:3K34 | ||||
| Method | X-ray diffraction | Resolution | 0.90 Å | Mutation | No | [68] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SUA or .SUA2 or .SUA3 or :3SUA;style chemicals stick;color identity;select .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: CID 15155591 | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II in complex with N'-sulfamoylpyrrolidine-1-carboximidamide | PDB:4FRC | ||||
| Method | X-ray diffraction | Resolution | 0.98 Å | Mutation | No | [69] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0VY or .0VY2 or .0VY3 or :30VY;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: ethyl (4R)-2-(sulfamoylamino)-4,5-dihydro-1,3-thiazole-4-carboxylate | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate | PDB:4FPT | ||||
| Method | X-ray diffraction | Resolution | 0.98 Å | Mutation | No | [70] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0VZ or .0VZ2 or .0VZ3 or :30VZ;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(2z)-1,3-Oxazolidin-2-Ylidene]sulfuric Diamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II in complex with N-[(2Z)-1,3-oxazolidin-2-ylidene]sulfuric diamide | PDB:4FU5 | ||||
| Method | X-ray diffraction | Resolution | 0.98 Å | Mutation | No | [71] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0VX or .0VX2 or .0VX3 or :30VX;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Naphthalene-2-sulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic anhydrase II bound by 2-Naphthalenesulfonamide. | PDB:6T81 | ||||
| Method | X-ray diffraction | Resolution | 0.98 Å | Mutation | No | [72] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MUE or .MUE2 or .MUE3 or :3MUE;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-(Benzylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl)sulfonyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | PDB:5OGO | ||||
| Method | X-ray diffraction | Resolution | 0.99 Å | Mutation | Yes | [73] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNV 62 GHAFHVEFDD72 SQDKAVLKGG82 PLDGTYRLFQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLAH122 WNTKYGDLGK133 AAQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTHPPL203 YECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WWO or .WWO2 or .WWO3 or :3WWO;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:132 or .A:133 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:206 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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VAL62
4.790
HIS64
3.223
HIS67
2.718
GLU69
2.763
PHE91
3.519
GLN92
2.811
HIS94
3.103
HIS96
3.317
GLU106
4.034
HIS119
3.328
ALA121
4.007
ASP130
3.187
LEU131
3.256
GLY132
3.114
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: S-(Methylmercury)-L-Cysteine | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with two-prong inhibitors | PDB:2FOU | ||||
| Method | X-ray diffraction | Resolution | 0.99 Å | Mutation | Yes | [74] |
| PDB Sequence |
MSHHWGYGKH
10 NGPEHWHKDF20 PIAKGERQSP30 VDIDTHTAKY40 DPSLKPLSVS50 YDQATSLRIL 60 NNGHAFNVEF70 DDSQDKAVLK80 GGPLDGTYRL90 IQFHFHWGSL100 DGQGSEHTVD 110 KKKYAAELHL120 VHWNTKYGDF131 GKAVQQPDGL141 AVLGIFLKVG151 SAKPGLQKVV 161 DVLDSIKTKG171 KSADFTNFDP181 RGLLPESLDY191 WTYPGSLTTP201 PLLEVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CMH or .CMH2 or .CMH3 or :3CMH;style chemicals stick;color identity;select .A:27 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:139 or .A:140 or .A:141 or .A:196 or .A:197 or .A:204 or .A:205 or .A:207 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [2,2'-{[2-({3-[({2-[4-(Aminosulfonyl)phenyl]ethyl}amino)carbonyl]phenyl}amino)-2-oxoethyl]imino}diacetato(2-)-kappao]copper | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with two-prong inhibitors | PDB:2FOU | ||||
| Method | X-ray diffraction | Resolution | 0.99 Å | Mutation | Yes | [74] |
| PDB Sequence |
MSHHWGYGKH
10 NGPEHWHKDF20 PIAKGERQSP30 VDIDTHTAKY40 DPSLKPLSVS50 YDQATSLRIL 60 NNGHAFNVEF70 DDSQDKAVLK80 GGPLDGTYRL90 IQFHFHWGSL100 DGQGSEHTVD 110 KKKYAAELHL120 VHWNTKYGDF131 GKAVQQPDGL141 AVLGIFLKVG151 SAKPGLQKVV 161 DVLDSIKTKG171 KSADFTNFDP181 RGLLPESLDY191 WTYPGSLTTP201 PLLEVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B22 or .B222 or .B223 or :3B22;style chemicals stick;color identity;select .A:3 or .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209 or .A:236; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS3
3.978
HIS4
1.837
TRP5
3.557
HIS10
3.451
ASN11
3.779
GLY12
4.680
HIS15
2.987
TRP16
3.156
HIS17
4.960
LYS18
4.207
ASP19
2.723
PHE20
3.605
ASN67
4.413
ILE91
3.461
|
|||||
| Ligand Name: N-(3-Hydroxybenzyl)-4-Sulfamoylbenzamide | Ligand Info | |||||
| Structure Description | Structure at 1A resolution of a helical aromatic foldamer-protein complex. | PDB:4MTY | ||||
| Method | X-ray diffraction | Resolution | 1.00 Å | Mutation | No | [75] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SBW or .SBW2 or .SBW3 or :3SBW;style chemicals stick;color identity;select .A:3 or .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:57 or .A:60 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS3
2.977
HIS4
4.419
TRP5
3.400
HIS10
3.345
ASN11
3.061
GLY12
4.830
HIS15
3.010
TRP16
3.195
HIS17
4.893
LYS18
4.222
ASP19
2.741
PHE20
3.559
LEU57
3.652
LEU60
4.280
ASN67
4.269
GLU69
3.822
PHE70
2.706
ASP71
4.039
ASP72
2.990
|
|||||
| Ligand Name: Perfluorobutylsulphonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA | PDB:6RZX | ||||
| Method | X-ray diffraction | Resolution | 1.00 Å | Mutation | No | [76] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHSFQVTFDD72 SQDKAVLKGG82 PLDGTYRLLQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTEGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 AECVTWIVLK 212 EPISVSSEQV222 VKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KPQ or .KPQ2 or .KPQ3 or :3KPQ;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 2-[(1s)-2,3-Dihydro-1h-Inden-1-Ylamino]-3,5,6-Trifluoro-4-[(2-Hydroxyethyl)sulfanyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide | PDB:5DOH | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [77] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5DU or .5DU2 or .5DU3 or :35DU;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:95 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209 or .A:244; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP5
3.883
TYR7
3.137
ASN62
3.971
HIS64
2.918
ALA65
3.216
ASN67
4.292
ILE91
4.177
GLN92
3.281
HIS94
2.441
PHE95
4.049
HIS96
2.623
GLU106
4.319
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(Tetrahydropyrimidin-2(1h)-Ylidene)sulfuric Diamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II in complex with N-(tetrahydropyrimidin-2(1H)-ylidene)sulfuric diamide | PDB:4FVN | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [78] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0VW or .0VW2 or .0VW3 or :30VW;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,3,5,6-Tetrafluoro-4-(Propylsulfanyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | PDB:4WW6 | ||||
| Method | X-ray diffraction | Resolution | 1.06 Å | Mutation | No | [79] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3TV or .3TV2 or .3TV3 or :33TV;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
2.735
TRP5
3.410
GLY6
4.868
HIS10
3.164
ASN11
3.425
GLY12
4.569
HIS15
2.908
TRP16
3.436
HIS17
4.958
LYS18
3.720
ASP19
2.702
PHE20
3.859
GLN92
3.807
HIS94
3.254
HIS96
3.331
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2,3,5,6-Tetrafluoro-4-[(2-Hydroxyethyl)sulfonyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | PDB:4PZH | ||||
| Method | X-ray diffraction | Resolution | 1.06 Å | Mutation | No | [80] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V13 or .V132 or .V133 or :3V13;style chemicals stick;color identity;select .A:5 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-Ethylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (3). | PDB:4YXO | ||||
| Method | X-ray diffraction | Resolution | 1.06 Å | Mutation | No | [32] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4JC or .4JC2 or .4JC3 or :34JC;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:180 or .A:182 or .A:183 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-(Cyclooctylamino)-3,5,6-Trifluoro-4-[(2-Hydroxyethyl)sulfanyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of chimeric carbonic anhydrase XII with inhibitor | PDB:4Q08 | ||||
| Method | X-ray diffraction | Resolution | 1.07 Å | Mutation | Yes | [80] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFKVEFDDS73 QDKAVLKGGP83 LDGTYRLTQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDAGKA133 SQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLN203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V90 or .V902 or .V903 or :3V90;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:206 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.627
TYR7
3.384
ASN62
3.539
HIS64
3.367
SER65
3.525
LYS67
4.572
GLN92
3.882
HIS94
3.159
HIS96
3.320
GLU106
4.095
HIS119
3.357
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2,3,6-Tris(Fluoranyl)-5-(Methylamino)-4-(2-Phenylethylsulfonyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 3-(Methylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide | PDB:5LLC | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [81] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V26 or .V262 or .V263 or :3V26;style chemicals stick;color identity;select .A:62 or .A:64 or .A:65 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Chloro-5-{[(5-Ethylpyrimidin-2-Yl)sulfanyl]acetyl}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-{[(5-ethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | PDB:3SAX | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [82] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E50 or .E502 or .E503 or :3E50;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.469
ASN62
4.234
HIS64
4.504
ASN67
3.732
GLN92
3.486
HIS94
3.197
HIS96
3.327
GLU106
4.305
HIS119
3.268
VAL121
3.856
PHE131
4.107
VAL135
4.572
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| Ligand Name: 3-[(1s)-2,3-Dihydro-1h-Inden-1-Ylamino]-2,5,6-Trifluoro-4-[(2-Hydroxyethyl)sulfonyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydraseisozyme II with 3-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | PDB:5DRS | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [77] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5EF or .5EF2 or .5EF3 or :35EF;style chemicals stick;color identity;select .A:62 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure for the complex of human carbonic anhydrase II and 4-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide | PDB:6YPW | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [83] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P75 or .P752 or .P753 or :3P75;style chemicals stick;color identity;select .A:67 or .A:69 or .A:70 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-hydroxy-2H-chromene-2-thione | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the 6-hydroxy-chromene-2-thione inhibitor | PDB:4WL4 | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [84] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FC5 or .FC52 or .FC53 or :3FC5;style chemicals stick;color identity;select .A:92 or .A:94 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Copper;2-[carboxylatomethyl-[2-[2-[2-[(4-sulfamoylbenzoyl)amino]ethoxy]ethoxy]ethyl]amino]acetate | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with two-prong inhibitors | PDB:2FOS | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | Yes | [74] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLEVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B17 or .B172 or .B173 or :3B17;style chemicals stick;color identity;select .A:3 or .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS3
4.162
HIS4
3.171
TRP5
3.674
HIS10
3.580
ASN11
3.671
GLY12
4.570
HIS15
2.969
TRP16
3.360
LYS18
4.044
ASP19
2.729
PHE20
3.716
GLN92
3.832
HIS94
3.256
HIS96
3.354
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| Ligand Name: 4-(Propylsulfanyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-Propylthiobenzenesulfonamide | PDB:5LLG | ||||
| Method | X-ray diffraction | Resolution | 1.12 Å | Mutation | No | [81] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VD9 or .VD92 or .VD93 or :3VD9;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
2.629
TRP5
3.433
GLY6
4.991
HIS10
3.610
ASN11
3.585
GLY12
4.525
HIS15
2.852
TRP16
3.244
HIS17
4.809
LYS18
4.011
ASP19
2.744
PHE20
3.629
GLN92
3.832
HIS94
3.198
HIS96
3.279
|
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| Ligand Name: 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-[(Z)-azepan-1-yldiazenyl]benzenesulfonamide | PDB:4Q6D | ||||
| Method | X-ray diffraction | Resolution | 1.12 Å | Mutation | No | [85] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WW3 or .WW32 or .WW33 or :3WW3;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[2-(Benzimidazol-1-Yl)ethanoyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide | PDB:5LL4 | ||||
| Method | X-ray diffraction | Resolution | 1.12 Å | Mutation | No | [86] |
| PDB Sequence |
MSHHWGYGKH
10 NGPEHWHKDF20 PIAKGERQSP30 VDIDTHTAKY40 DPSLKPLSVS50 YDQATSLRIL 60 NNGHAFNVEF70 DDSQDKAVLK80 GGPLDGTYRL90 IQFHFHWGSL100 DGQGSEHTVD 110 KKKYAAELHL120 VHWNTKYGDF131 GKAVQQPDGL141 AVLGIFLKVG151 SAKPGLQKVV 161 DVLDSIKTKG171 KSADFTNFDP181 RGLLPESLDY191 WTYPGSLTTP201 PLLECVTWIV 211 LKEPISVSSE221 QVLKFRKLNF231 NGEGEPEELM241 VDNWRPAQPL251 KNRQIKASFK 261
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6YH or .6YH2 or .6YH3 or :36YH;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{[3-(3,5-Dimethyl-1h-Pyrazol-1-Yl)-3-Oxopropyl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-{[3-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzene-1-sulfonamide | PDB:4Q6E | ||||
| Method | X-ray diffraction | Resolution | 1.12 Å | Mutation | No | [85] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KR5 or .KR52 or .KR53 or :3KR5;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate | Ligand Info | |||||
| Structure Description | Mimic carbonic anhydrase IX in complex with Methyl 2-chloro-4-(cyclohexylsulfanyl)-5-sulfamoylbenzoate | PDB:7Q0C | ||||
| Method | X-ray diffraction | Resolution | 1.12 Å | Mutation | Yes | [87] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVEFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 LQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7VZ or .7VZ2 or .7VZ3 or :37VZ;style chemicals stick;color identity;select .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:95 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:197 or .A:198 or .A:199 or .A:208 or .A:243; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR7
3.167
ASN62
2.891
HIS64
3.776
SER65
3.387
GLN67
3.301
LEU91
3.466
GLN92
3.464
HIS94
3.207
PHE95
4.642
HIS96
3.290
GLU106
4.007
|
|||||
| Ligand Name: N-butyl-2,4-dichloro-5-sulfamoylbenzamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with N-butyl-2,4-dichloro-5-sulfamoyl-benzamide | PDB:6G6T | ||||
| Method | X-ray diffraction | Resolution | 1.12 Å | Mutation | No | [88] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ENN or .ENN2 or .ENN3 or :3ENN;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
3.783
ASN62
4.035
HIS64
4.208
ASN67
3.770
GLN92
3.156
HIS94
3.236
HIS96
3.348
GLU106
4.198
HIS119
3.301
VAL121
3.875
PHE131
3.813
|
|||||
| Ligand Name: 2-(Butylamino)-~{n}-[2-(4-Sulfamoylphenyl)ethyl]ethanamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with a two-faced guest | PDB:5EKJ | ||||
| Method | X-ray diffraction | Resolution | 1.13 Å | Mutation | Yes | [89] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TG4 or .TG42 or .TG43 or :3TG4;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3,5-Dimethylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic anhydrase II bound by 3,5-dimethylbenzenesulfonamide | PDB:6T4O | ||||
| Method | X-ray diffraction | Resolution | 1.13 Å | Mutation | No | [72] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MJ2 or .MJ22 or .MJ23 or :3MJ2;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with Methyl 3-((4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoate | PDB:7QGZ | ||||
| Method | X-ray diffraction | Resolution | 1.13 Å | Mutation | No | [90] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D6B or .D6B2 or .D6B3 or :3D6B;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(Allyloxy)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide | PDB:4RUX | ||||
| Method | X-ray diffraction | Resolution | 1.14 Å | Mutation | No | [91] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3W3 or .3W32 or .3W33 or :33W3;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:156 or .A:180 or .A:181 or .A:182 or .A:183 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLN92
3.859
HIS94
2.454
HIS96
2.939
GLU106
3.364
HIS119
2.749
VAL121
3.091
PHE131
3.407
VAL135
4.134
LEU141
4.301
VAL143
3.820
GLY156
4.896
ASP180
2.561
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| Ligand Name: 4-Propoxybenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human Carbonic Anhydrase II in complex with 4-propoxybenzenesulfonamide | PDB:4RUY | ||||
| Method | X-ray diffraction | Resolution | 1.14 Å | Mutation | No | [91] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3W6 or .3W62 or .3W63 or :33W6;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
1.764
TRP5
2.679
GLY6
3.971
HIS10
3.684
ASN11
2.807
GLY12
3.861
HIS15
2.817
TRP16
2.478
LYS18
3.794
ASP19
2.783
PHE20
3.825
GLN92
3.890
HIS94
2.496
HIS96
2.881
GLU106
3.430
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (R)-1-Amino-1-[5-(dimethylamino)-1,3,4-thiadiazol-2-YL]methanesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with novel inhibitors | PDB:2EU2 | ||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | No | [92] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5DS or .5DS2 or .5DS3 or :35DS;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-(Cyclooctylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl)sulfonyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of chimeric carbonic anhydrase IX with inhibitor | PDB:4Q07 | ||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | Yes | [80] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVEFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 LQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V14 or .V142 or .V143 or :3V14;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
3.535
TYR7
4.857
ASN62
2.906
HIS64
3.631
SER65
4.500
GLN67
3.311
LEU91
3.748
GLN92
2.940
HIS94
3.151
HIS96
3.025
GLU106
3.824
HIS119
3.111
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)-2,3,5,6-tetrafluoro-N-methyl-benzenesulfonamide | PDB:7AGN | ||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | No | [93] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RAK or .RAK2 or .RAK3 or :3RAK;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-{[6-Chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]benzenesulfonamide | PDB:3MHO | ||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | No | [94] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J43 or .J432 or .J433 or :3J43;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Acetonitrile | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with two-prong inhibitors | PDB:2FOV | ||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | Yes | [74] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLEVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CCN or .CCN2 or .CCN3 or :3CCN;style chemicals stick;color identity;select .A:150 or .A:151 or .A:152 or .A:217; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: {2,2'-[(2-{[4-(Aminosulfonyl)benzoyl]amino}ethyl)imino]diacetato(2-)-kappao}copper | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with two-prong inhibitors | PDB:2FOV | ||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | Yes | [74] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLEVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B30 or .B302 or .B303 or :3B30;style chemicals stick;color identity;select .A:2 or .A:3 or .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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SER2
4.812
HIS3
4.218
HIS4
3.039
TRP5
3.201
HIS10
3.600
ASN11
3.685
GLY12
4.557
HIS15
2.871
TRP16
3.327
HIS17
4.933
LYS18
3.971
ASP19
2.621
PHE20
3.689
ASN62
3.894
HIS64
2.021
ASN67
3.013
|
|||||
| Ligand Name: 4-({[(4-Methylpiperazin-1-YL)amino]carbonothioyl}amino)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human CA II inhibition by novel sulfonamide | PDB:4ITO | ||||
| Method | X-ray diffraction | Resolution | 1.16 Å | Mutation | No | [95] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MPX or .MPX2 or .MPX3 or :3MPX;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-[[5-Chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic acid | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with 3-((5-chloro-4-(4-chlorophenyl)thiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid | PDB:7QGX | ||||
| Method | X-ray diffraction | Resolution | 1.19 Å | Mutation | No | [90] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D85 or .D852 or .D853 or :3D85;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:201 or .A:203 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2,4-Dihydroxybenzenesulfenic Acid | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II H64A complexed with thioxolone hydrolysis products | PDB:4FIK | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [96] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 AAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TH7 or .TH72 or .TH73 or :3TH7;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(2,5-dioxopyrrol-1-yl)-N-(4-sulfamoylphenyl)acetamide | Ligand Info | |||||
| Structure Description | Human carboanhydrase F131C_C206S double mutant in complex with 14 | PDB:5T74 | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [97] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDCGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ESVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .75Y or .75Y2 or .75Y3 or :375Y;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Chloro-4-[(Pyrimidin-2-Ylsulfanyl)acetyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of chimeric carbonic anhydrase XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide | PDB:6YH5 | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [98] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHSFKVEFDD72 SQDKAVLKGG82 PLDGTYRLTQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDAGK133 ASQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 NECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E1F or .E1F2 or .E1F3 or :3E1F;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:135 or .A:136 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of chimeric carbonic anhydrase XII with 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide | PDB:6YH8 | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [98] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFKVEFDDS73 QDKAVLKGGP83 LDGTYRLTQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDAGKA134 SQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLN204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OQT or .OQT2 or .OQT3 or :3OQT;style chemicals stick;color identity;select .A:62 or .A:65 or .A:66 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4,4'-Disulfanediyldibenzene-1,3-Diol | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II H64A complexed with thioxolone hydrolysis products | PDB:4FIK | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [96] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 AAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D2S or .D2S2 or .D2S3 or :3D2S;style chemicals stick;color identity;select .A:57 or .A:60 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:91 or .A:92 or .A:131; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | PDB:6R6F | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [99] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EA3 or .EA32 or .EA33 or :3EA3;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
3.544
ASN62
4.169
HIS64
3.882
ASN67
4.035
GLN92
3.179
HIS94
3.324
HIS96
3.383
GLU106
4.180
HIS119
3.297
VAL121
3.870
PHE131
3.924
|
|||||
| Ligand Name: 4-Mercaptobenzene-1,3-Diol | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II H64A complexed with thioxolone hydrolysis products | PDB:4FIK | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [96] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 AAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TH0 or .TH02 or .TH03 or :3TH0;style chemicals stick;color identity;select .A:57 or .A:69 or .A:70 or .A:71 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (5r)-5-[(2,4-Dimethoxyphenyl)methyl]-2-Sulfanylidene-1,3-Thiazolidin-4-One | Ligand Info | |||||
| Structure Description | Identification of a New Zinc Binding Chemotype by Fragment Screening | PDB:5U0F | ||||
| Method | X-ray diffraction | Resolution | 1.21 Å | Mutation | No | [100] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7R1 or .7R12 or .7R13 or :37R1;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (~{e})-3-[3-[[3-(2-Hydroxy-2-Oxoethyl)phenyl]methoxy]phenyl]prop-2-Enoic Acid | Ligand Info | |||||
| Structure Description | human carbonic anhydrase II in complex with ligand | PDB:5EHV | ||||
| Method | X-ray diffraction | Resolution | 1.21 Å | Mutation | No | [42] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5ON or .5ON2 or .5ON3 or :35ON;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-(Cyclohexylselanyl)benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects | PDB:6D1M | ||||
| Method | X-ray diffraction | Resolution | 1.21 Å | Mutation | No | [101] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FQY or .FQY2 or .FQY3 or :3FQY;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.522
TRP5
3.558
HIS10
3.608
ASN11
3.592
GLY12
4.525
HIS15
2.877
TRP16
3.390
LYS18
4.038
ASP19
2.710
PHE20
3.751
GLN92
3.940
HIS94
3.262
HIS96
3.303
|
|||||
| Ligand Name: 4-Methylpyrimidine-2-sulfonamide | Ligand Info | |||||
| Structure Description | human carbonic anhydrase II in complex with ligand | PDB:5EH5 | ||||
| Method | X-ray diffraction | Resolution | 1.21 Å | Mutation | No | [42] |
| PDB Sequence |
WGYGKHNGPE
14 HWHKDFPIAK24 GERQSPVDID34 THTAKYDPSL44 KPLSVSYDQA54 TSLRILNNGH 64 AFNVEFDDSQ74 DKAVLKGGPL84 DGTYRLIQFH94 FHWGSLDGQG104 SEHTVDKKKY 114 AAELHLVHWN124 TKYGDFGKAV134 QQPDGLAVLG144 IFLKVGSAKP154 GLQKVVDVLD 164 SIKTKGKSAD174 FTNFDPRGLL184 PESLDYWTYP194 GSLTTPPLLE204 CVTWIVLKEP 214 ISVSSEQVLK224 FRKLNFNGEG234 EPEELMVDNW244 RPAQPLKNRQ254 IKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XCZ or .XCZ2 or .XCZ3 or :3XCZ;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Anthracene-9-sulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic anhydrase II bound by anthracene-9-sulfonamide | PDB:6T5C | ||||
| Method | X-ray diffraction | Resolution | 1.22 Å | Mutation | No | [72] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MJT or .MJT2 or .MJT3 or :3MJT;style chemicals stick;color identity;select .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(2-benzyl-4-methylpiperazin-1-yl)benzenesulfonamide | PDB:6RG4 | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [102] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K45 or .K452 or .K453 or :3K45;style chemicals stick;color identity;select .A:62 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Isobutylmalonic acid | Ligand Info | |||||
| Structure Description | Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | PDB:6YHA | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | Yes | [98] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFKVEFDDS73 QDKAVLKGGP83 LDGTYRLTQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDAGKA134 SQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLN204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LML or .LML2 or .LML3 or :3LML;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:92 or .A:200 or .A:201; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: [2,2'-({4-[({2-[4-(Aminosulfonyl)phenyl]ethyl}amino)carbonyl]benzyl}imino)diacetato(2-)-kappao]copper | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with two-prong inhibitors | PDB:2FOQ | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | Yes | [74] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 EVTWIVLKEP 215 ISVSSEQVLK225 FRKLNFNGEG235 EPEELMVDNW245 RPAQPLKNRQ255 IKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B15 or .B152 or .B153 or :3B15;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.375
TRP5
3.584
HIS10
3.741
ASN11
3.553
GLY12
4.485
HIS15
2.909
TRP16
3.212
HIS17
4.974
LYS18
4.166
ASP19
2.660
PHE20
3.617
GLN92
3.922
HIS94
3.299
HIS96
3.408
|
|||||
| Ligand Name: 1-(4-Fluorophenyl)-3-(4-sulfamoylphenyl)thiourea | Ligand Info | |||||
| Structure Description | Discovery of new selenoureido analogs of 4-(4-fluorophenylureido) benzenesulfonamides as carbonic anhydrase inhibitors | PDB:5WEX | ||||
| Method | X-ray diffraction | Resolution | 1.26 Å | Mutation | No | [103] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8JS or .8JS2 or .8JS3 or :38JS;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Phenyl-(4-sulfamoylphenoxy)phosphinic acid | Ligand Info | |||||
| Structure Description | HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A SULFONAMIDE INHIBITOR | PDB:6SDS | ||||
| Method | X-ray diffraction | Resolution | 1.26 Å | Mutation | No | [104] |
| PDB Sequence |
MSHHWGYGKH
10 NGPEHWHKDF20 PIAKGERQSP30 VDIDTHTAKY40 DPSLKPLSVS50 YDQATSLRIL 60 NNGHAFNVEF70 DDSQDKAVLK80 GGPLDGTYRL90 IQFHFHWGSL100 DGQGSEHTVD 110 KKKYAAELHL120 VHWNTKYGDF131 GKAVQQPDGL141 AVLGIFLKVG151 SAKPGLQKVV 161 DVLDSIKTKG171 KSADFTNFDP181 RGLLPESLDY191 WTYPGSLTTP201 PLLECVTWIV 211 LKEPISVSSE221 QVLKFRKLNF231 NGEGEPEELM241 VDNWRPAQPL251 KNRQIKASFK 261
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L8N or .L8N2 or .L8N3 or :3L8N;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (5r)-5-Benzyl-2-Sulfanylidene-1,3-Thiazolidin-4-One | Ligand Info | |||||
| Structure Description | Identification of a New Zinc Binding Chemotype by Fragment Screening | PDB:5U0E | ||||
| Method | X-ray diffraction | Resolution | 1.27 Å | Mutation | No | [100] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7R4 or .7R42 or .7R43 or :37R4;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-YL)-3,4-dihydroxytetrahydro-2-furanyl]methyl sulfamate | Ligand Info | |||||
| Structure Description | Carbonic anhydrase 2 in complex with [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE inhibitor | PDB:6C7W | ||||
| Method | X-ray diffraction | Resolution | 1.28 Å | Mutation | No | [105] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LMS or .LMS2 or .LMS3 or :3LMS;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pivalamide | PDB:7JNX | ||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | No | [106] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VGS or .VGS2 or .VGS3 or :3VGS;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)isobutyramide | PDB:7JNW | ||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | No | [106] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VFM or .VFM2 or .VFM3 or :3VFM;style chemicals stick;color identity;select .A:67 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASN67
4.114
ASP72
4.857
ILE91
2.311
GLN92
3.252
HIS94
2.577
HIS96
3.203
GLU106
4.064
HIS119
3.101
VAL121
2.700
PHE131
2.754
GLY132
3.649
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Carbonic anhydrase inhibitor 3 | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II in complex with 3-ureido benzenesulfonamide derivative | PDB:7RNY | ||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | No | [107] |
| PDB Sequence |
WGYGKHNGPE
14 HWHKDFPIAK24 GERQSPVDID34 THTAKYDPSL44 KPLSVSYDQA54 TSLRILNNGH 64 AFNVEFDDSQ74 DKAVLKGGPL84 DGTYRLIQFH94 FHWGSLDGQG104 SEHTVDKKKY 114 AAELHLVHWN124 TKYGDFGKAV135 QQPDGLAVLG145 IFLKVGSAKP155 GLQKVVDVLD 165 SIKTKGKSAD175 FTNFDPRGLL185 PESLDYWTYP195 GSLTTPPLLE205 CVTWIVLKEP 215 ISVSSEQVLK225 FRKLNFNGEG235 EPEELMVDNW245 RPAQPLKNRQ255 IKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .65M or .65M2 or .65M3 or :365M;style chemicals stick;color identity;select .A:5 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
3.261
HIS64
4.580
GLN92
3.811
HIS94
2.895
HIS96
2.820
GLU106
3.395
HIS119
2.876
VAL121
2.148
PHE131
2.509
VAL135
2.739
LEU141
3.076
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| Ligand Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide | PDB:7JNZ | ||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | No | [106] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VGV or .VGV2 or .VGV3 or :3VGV;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2 | PDB:6SYS | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [108] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LZW or .LZW2 or .LZW3 or :3LZW;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
3.161
TRP5
3.483
GLY6
4.967
HIS10
3.291
ASN11
3.451
GLY12
4.605
HIS15
2.922
TRP16
3.306
HIS17
4.903
LYS18
4.038
ASP19
2.777
PHE20
3.893
GLN92
3.551
HIS94
3.191
HIS96
3.278
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| Ligand Name: 2,3,6-Trifluoro-5-{[(1r,2s)-2-Hydroxy-1,2-Diphenylethyl]amino}-4-[(2-Hydroxyethyl)sulfonyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with inhibitor | PDB:4QIY | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [109] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WWX or .WWX2 or .WWX3 or :3WWX;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:66 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.068
TYR7
4.888
ASN62
3.095
HIS64
4.150
ALA65
4.314
PHE66
4.811
ASN67
2.154
ILE91
3.742
GLN92
3.388
HIS94
3.178
HIS96
2.919
GLU106
3.969
HIS119
3.301
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide | Ligand Info | |||||
| Structure Description | Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects | PDB:6ODZ | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [110] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M8J or .M8J2 or .M8J3 or :3M8J;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
3.443
TRP5
3.542
HIS10
3.712
ASN11
3.546
GLY12
4.467
HIS15
2.818
TRP16
3.357
HIS17
4.960
LYS18
3.976
ASP19
2.656
PHE20
3.777
ASN67
4.993
ILE91
4.084
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|||||
| Ligand Name: 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide | Ligand Info | |||||
| Structure Description | Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects | PDB:6OE0 | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [110] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M8S or .M8S2 or .M8S3 or :3M8S;style chemicals stick;color identity;select .A:62 or .A:67 or .A:69 or .A:70 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-(6-Hydroxy-3-Oxo-3h-Xanthen-9-Yl)-5-[({[1-(4-Sulfamoylphenyl)-1h-1,2,3-Triazol-4-Yl]methyl}carbamothioyl)amino]benzoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with 2-(6-hydroxy-3-Oxo-3H-xanthen-9-yl)-5-{3-1-(4-sulfamoyl-phenyl)-1h-[1,2,3]triazol-4-ylmethyl-thioureido}-benzoic acid | PDB:4RH2 | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [111] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FC9 or .FC92 or .FC93 or :3FC9;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:136 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Chloro-5-{[(4,6-Dimethylpyrimidin-2-Yl)sulfanyl]acetyl}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | PDB:3S9T | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [82] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E49 or .E492 or .E493 or :3E49;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.560
ASN62
3.442
HIS64
4.347
ASN67
3.778
GLN92
3.127
HIS94
3.331
HIS96
3.305
GLU106
4.212
HIS119
3.324
VAL121
3.810
PHE131
3.968
|
|||||
| Ligand Name: 4-(1~{H}-indol-2-yl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(1H-Indol-2-yl)-benzenesulfonamide | PDB:5N1S | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [112] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8GE or .8GE2 or .8GE3 or :38GE;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(2-Methyl-1,3-oxazol-5-yl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(2-methyl-1,3-oxazol-5-yl)benzene-1-sulfonammide | PDB:5NEA | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [113] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8V8 or .8V82 or .8V83 or :38V8;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.258
TRP5
3.494
HIS10
3.459
ASN11
3.700
GLY12
4.645
HIS15
2.940
TRP16
3.229
HIS17
4.955
LYS18
4.031
ASP19
2.745
PHE20
3.675
GLN92
3.914
HIS94
3.252
|
|||||
| Ligand Name: 4-Diazenylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human carboanhydrase F131C_C206S double mutant in complex with SA-2 | PDB:5T71 | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [97] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDCGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ESVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .75W or .75W2 or .75W3 or :375W;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[4-(Pyrazol-1-ylmethyl)phenyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4'-Pyrazol-1-ylmethyl-biphenyl-4-sulfonamide | PDB:5N1R | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [112] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8GH or .8GH2 or .8GH3 or :38GH;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[(4-Methyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl)sulfanyl]acetyl}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-{[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | PDB:3S8X | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [82] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E59 or .E592 or .E593 or :3E59;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:136 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Benzenesulfonamide, 4-[[(methylamino)carbonyl]amino]- | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II in complex with 4-ureido benzenesulfonamide derivative | PDB:7RNZ | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [107] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .64W or .64W2 or .64W3 or :364W;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Chloro{n-[di(Pyridin-2-Yl-Kappan)methyl]-4-Sulfamoylbenzamide}[(1,2,3,4,5,6-Eta)-(1r,2r,3r,4s,5s,6s)-1,2,3,4,5,6-Hexamethylcyclohexane-1,2,3,4,5,6-Hexayl]ruthenium(2+) | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II as Host for Pianostool Complexes Bearing a Sulfonamide Anchor | PDB:3PYK | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [114] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SRX or .SRX2 or .SRX3 or :3SRX;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Deuterium Oxide | Ligand Info | |||||
| Structure Description | Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin-sugar conjugate complex) | PDB:6GCY | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [38] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHSFQVTFDD72 SQDKAVLKGG82 PLDGTYRLLQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTEGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 AECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DOD or .DOD2 or .DOD3 or :3DOD;style chemicals stick;color identity;select .A:3 or .A:4 or .A:5 or .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:21 or .A:22 or .A:23 or .A:24 or .A:25 or .A:26 or .A:27 or .A:28 or .A:30 or .A:31 or .A:32 or .A:33 or .A:34 or .A:35 or .A:36 or .A:37 or .A:38 or .A:39 or .A:40 or .A:41 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:47 or .A:48 or .A:49 or .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:56 or .A:57 or .A:58 or .A:60 or .A:61 or .A:62 or .A:63 or .A:64 or .A:65 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:73 or .A:74 or .A:75 or .A:76 or .A:77 or .A:78 or .A:79 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:88 or .A:89 or .A:90 or .A:91 or .A:92 or .A:94 or .A:95 or .A:96 or .A:97 or .A:98 or .A:99 or .A:100 or .A:101 or .A:102 or .A:103 or .A:104 or .A:105 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:115 or .A:116 or .A:123 or .A:124 or .A:125 or .A:126 or .A:127 or .A:128 or .A:129 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:135 or .A:136 or .A:137 or .A:138 or .A:139 or .A:140 or .A:141 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148 or .A:149 or .A:150 or .A:151 or .A:152 or .A:153 or .A:154 or .A:155 or .A:156 or .A:157 or .A:158 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:165 or .A:166 or .A:167 or .A:168 or .A:169 or .A:170 or .A:171 or .A:172 or .A:173 or .A:174 or .A:175 or .A:176 or .A:177 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:185 or .A:186 or .A:187 or .A:188 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:207 or .A:208 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:223 or .A:224 or .A:225 or .A:226 or .A:227 or .A:228 or .A:229 or .A:230 or .A:231 or .A:232 or .A:233 or .A:234 or .A:235 or .A:236 or .A:237 or .A:238 or .A:239 or .A:240 or .A:241 or .A:242 or .A:243 or .A:244 or .A:245 or .A:246 or .A:247 or .A:248 or .A:249 or .A:250 or .A:251 or .A:252 or .A:253 or .A:254 or .A:255 or .A:256 or .A:257 or .A:258 or .A:259 or .A:260; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS3
2.235
HIS4
2.991
TRP5
2.611
GLY6
2.628
TYR7
1.849
GLY8
2.377
LYS9
1.820
HIS10
1.947
ASN11
2.440
GLY12
2.381
PRO13
2.375
GLU14
1.919
HIS15
2.368
TRP16
2.608
HIS17
2.178
LYS18
1.863
ASP19
2.160
PHE20
2.449
PRO21
2.304
ILE22
2.313
ALA23
1.999
LYS24
2.104
GLY25
1.848
GLU26
2.090
ARG27
2.308
GLN28
2.129
PRO30
3.502
VAL31
2.880
ASP32
1.744
ILE33
2.785
ASP34
2.089
THR35
2.027
HIS36
1.692
THR37
2.115
ALA38
2.353
LYS39
2.489
TYR40
2.163
ASP41
2.233
PRO42
2.744
SER43
4.199
LEU44
2.329
LYS45
2.768
PRO46
2.500
LEU47
2.263
SER48
2.267
VAL49
2.374
SER50
2.270
TYR51
1.849
ASP52
2.594
GLN53
1.975
ALA54
2.216
THR55
2.069
SER56
2.091
LEU57
2.516
ARG58
2.796
LEU60
3.281
ASN61
4.196
ASN62
2.541
GLY63
2.014
HIS64
1.947
SER65
2.412
GLN67
1.972
THR69
2.844
PHE70
2.709
ASP71
2.056
ASP72
2.209
SER73
1.675
GLN74
2.594
ASP75
1.984
LYS76
1.918
ALA77
2.099
VAL78
2.618
LEU79
3.040
LYS80
2.907
GLY81
1.962
GLY82
2.204
PRO83
3.007
LEU84
2.065
ASP85
2.139
GLY86
1.995
THR87
2.039
TYR88
1.659
ARG89
2.474
LEU90
1.979
LEU91
2.269
GLN92
2.387
HIS94
3.365
PHE95
4.942
HIS96
3.098
TRP97
3.320
GLY98
2.100
SER99
2.871
LEU100
2.204
ASP101
1.858
GLY102
2.240
GLN103
2.277
GLY104
2.021
SER105
1.929
GLU106
1.815
HIS107
4.232
THR108
2.442
VAL109
2.188
ASP110
2.251
LYS111
2.114
LYS112
2.240
LYS113
2.135
TYR114
2.082
ALA115
1.927
ALA116
3.950
TRP123
2.957
ASN124
1.790
THR125
1.900
LYS126
1.834
TYR127
2.575
GLY128
1.893
ASP129
2.156
VAL130
2.250
GLY131
2.041
LYS132
1.849
ALA133
3.919
VAL134
2.378
GLN135
1.945
GLN136
1.688
PRO137
2.491
ASP138
2.317
GLY139
3.339
LEU140
1.928
ALA141
3.638
GLY144
3.865
ILE145
2.633
PHE146
1.954
LEU147
4.640
LYS148
2.545
VAL149
2.034
GLY150
2.164
SER151
2.165
ALA152
2.089
LYS153
2.269
PRO154
2.444
GLY155
2.163
LEU156
3.459
GLN157
2.515
LYS158
2.096
VAL159
4.329
VAL160
2.540
ASP161
2.178
VAL162
2.306
LEU163
2.867
ASP164
2.565
SER165
2.830
ILE166
3.636
LYS167
2.172
THR168
1.802
GLU169
1.886
GLY170
1.968
LYS171
2.269
SER172
2.273
ALA173
2.836
ASP174
2.120
PHE175
2.893
THR176
2.153
ASN177
1.996
PHE178
1.931
ASP179
2.169
PRO180
3.088
ARG181
2.609
GLY182
2.161
LEU183
3.662
LEU184
1.959
PRO185
2.761
GLU186
2.498
SER187
2.082
LEU188
1.992
ASP189
2.027
TYR190
2.475
TRP191
2.209
THR192
2.173
TYR193
2.692
PRO194
2.599
GLY195
4.451
LEU197
2.955
THR198
2.038
THR199
1.841
PRO200
1.640
PRO201
2.611
LEU202
4.349
ALA203
2.706
GLU204
1.833
CYS205
2.972
VAL206
3.557
THR207
1.944
TRP208
4.420
VAL210
4.102
LEU211
2.036
LYS212
1.976
GLU213
2.082
PRO214
2.136
ILE215
2.268
SER216
2.167
VAL217
3.910
SER218
1.998
SER219
2.088
GLU220
1.934
GLN221
3.314
VAL222
3.632
LEU223
2.520
LYS224
1.471
PHE225
4.789
ARG226
1.958
LYS227
2.138
LEU228
3.007
ASN229
3.158
PHE230
2.693
ASN231
2.621
GLY232
3.010
GLU233
2.114
GLY234
2.269
GLU235
2.903
PRO236
2.315
GLU237
2.224
GLU238
2.304
LEU239
2.107
MET240
4.259
VAL241
2.095
ASP242
2.050
ASN243
2.622
TRP244
2.612
ARG245
2.050
PRO246
2.519
ALA247
2.202
GLN248
1.946
PRO249
2.392
LEU250
2.201
LYS251
2.100
ASN252
2.382
ARG253
2.439
GLN254
2.100
ILE255
2.201
LYS256
2.420
ALA257
2.731
SER258
2.330
PHE259
2.127
LYS260
2.220
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid | PDB:6WQ9 | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [115] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .U7J or .U7J2 or .U7J3 or :3U7J;style chemicals stick;color identity;select .A:20 or .A:58 or .A:60 or .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:132 or .A:133 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE20
4.731
ARG58
4.592
LEU60
3.818
ASN67
4.193
GLU69
4.237
ILE91
3.819
GLN92
2.890
HIS94
2.642
HIS96
2.890
GLU106
3.389
HIS119
2.884
VAL121
2.381
ASP130
2.723
PHE131
2.430
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide | PDB:6WQ7 | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [115] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .U6V or .U6V2 or .U6V3 or :3U6V;style chemicals stick;color identity;select .A:4 or .A:5 or .A:20 or .A:60 or .A:62 or .A:64 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:170 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
4.100
TRP5
2.177
PHE20
2.275
LEU60
3.943
ASN62
2.052
HIS64
2.704
ASN67
4.467
ILE91
4.893
GLN92
3.037
HIS94
2.680
HIS96
2.659
GLU106
3.612
HIS119
2.653
VAL121
2.391
PHE131
2.434
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide | PDB:6WQ5 | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [115] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .U7G or .U7G2 or .U7G3 or :3U7G;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:132 or .A:133 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN67
4.392
ILE91
3.815
GLN92
3.122
HIS94
2.531
HIS96
2.693
GLU106
3.842
HIS119
2.931
VAL121
2.339
ASP130
2.595
PHE131
2.215
GLY132
2.502
LYS133
4.288
|
|||||
| Ligand Name: [1-(1,1-Dioxido-3-Oxo-2,3-Dihydro-1,2-Benzothiazol-6-Yl)-1h-1,2,3-Triazol-4-Yl]methyl Alpha-L-Idopyranoside | Ligand Info | |||||
| Structure Description | Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin-sugar conjugate complex) | PDB:6GCY | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [38] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHSFQVTFDD72 SQDKAVLKGG82 PLDGTYRLLQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTEGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 AECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3QR or .3QR2 or .3QR3 or :33QR;style chemicals stick;color identity;select .A:65 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:129 or .A:130 or .A:131 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:206 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[5-(Chloromethyl)-1,3-selenazol-2-yl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the 4-(5-(chloromethyl)-1,3-selenazol-2-yl)benzenesulfonamide | PDB:6H3Q | ||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | No | [116] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMH or .FMH2 or .FMH3 or :3FMH;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 4-{[(2-{[(3,5-Dimethylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II complexed with 4-(2-(3-(3,5-dimethylphenyl)ureido)ethylsulfonamido)benzenesulfonamide | PDB:7K6K | ||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | No | [117] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VZ1 or .VZ12 or .VZ13 or :3VZ1;style chemicals stick;color identity;select .A:67 or .A:69 or .A:70 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN67
4.002
GLU69
4.025
PHE70
3.199
ASP72
4.492
ILE91
3.278
GLN92
2.903
HIS94
3.311
HIS96
3.268
GLU106
4.122
HIS119
3.372
VAL121
3.866
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Pentamethylcyclopentadienyl Iridium [n-Benzensulfonamide-(2-Pyridylmethyl-4-Benzensulfonamide)amin] Chloride | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II as a Scaffold for an Artificial Transfer Hydrogenase | PDB:3ZP9 | ||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | No | [118] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9TH or .9TH2 or .9TH3 or :39TH;style chemicals stick;color identity;select .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN67
4.079
GLU69
4.792
ILE91
3.411
GLN92
3.326
HIS94
3.275
HIS96
3.313
GLU106
4.152
HIS119
3.380
VAL121
3.872
PHE131
2.324
GLY132
4.679
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase 2 with inhibitor (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide (11d/D4) | PDB:6UFC | ||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | No | [119] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q6A or .Q6A2 or .Q6A3 or :3Q6A;style chemicals stick;color identity;select .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(2-benzylpiperazin-1-yl)benzenesulfonamide | PDB:6RG3 | ||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | No | [102] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K1W or .K1W2 or .K1W3 or :3K1W;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(Butylamino)-~{n}-(4-Sulfamoylphenyl)ethanamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with a two-faced guest | PDB:5EKM | ||||
| Method | X-ray diffraction | Resolution | 1.33 Å | Mutation | Yes | [89] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TG5 or .TG52 or .TG53 or :3TG5;style chemicals stick;color identity;select .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Hydroxy-2,4,6-cycloheptatriene-1-thione | Ligand Info | |||||
| Structure Description | Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 | PDB:5THN | ||||
| Method | X-ray diffraction | Resolution | 1.33 Å | Mutation | No | [39] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7CZ or .7CZ2 or .7CZ3 or :37CZ;style chemicals stick;color identity;select .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-Methylimidazole | Ligand Info | |||||
| Structure Description | Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure | PDB:4HEZ | ||||
| Method | X-ray diffraction | Resolution | 1.34 Å | Mutation | Yes | [120] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 AAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1MZ or .1MZ2 or .1MZ3 or :31MZ;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:7 or .A:51 or .A:52 or .A:53 or .A:54 or .A:62 or .A:63 or .A:64 or .A:69 or .A:70 or .A:71 or .A:72 or .A:91 or .A:92 or .A:94 or .A:110 or .A:111 or .A:112 or .A:113 or .A:121 or .A:130 or .A:131 or .A:132 or .A:133 or .A:141 or .A:143 or .A:170 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.328
TRP5
2.800
GLY6
3.351
TYR7
4.689
TYR51
3.280
ASP52
3.494
GLN53
4.746
ALA54
3.126
ASN62
3.372
GLY63
3.713
ALA64
3.127
GLU69
3.432
PHE70
3.554
ASP71
4.620
ASP72
3.220
ILE91
3.109
GLN92
3.596
HIS94
3.795
ASP110
3.548
LYS111
3.461
LYS112
3.586
|
|||||
| Ligand Name: 3'-deoxy-3'-(4-{[(4-sulfamoylphenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)thymidine | Ligand Info | |||||
| Structure Description | human carbonic anhydrase II bound to an inhibitor modified with azidothymidine | PDB:6WKA | ||||
| Method | X-ray diffraction | Resolution | 1.34 Å | Mutation | No | [121] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .U4V or .U4V2 or .U4V3 or :3U4V;style chemicals stick;color identity;select .A:67 or .A:69 or .A:70 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN67
3.192
GLU69
3.749
PHE70
3.200
ASP72
3.467
ILE91
3.243
GLN92
3.063
HIS94
3.247
HIS96
3.250
GLU106
4.063
HIS119
3.351
VAL121
3.799
|
|||||
| Ligand Name: 4-(Butylaminomethyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with a two-faced guest | PDB:5EKH | ||||
| Method | X-ray diffraction | Resolution | 1.34 Å | Mutation | Yes | [89] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5RD or .5RD2 or .5RD3 or :35RD;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Chloro-5-[(1h-Imidazo[4,5-C]quinolin-2-Ylsulfanyl)acetyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(1H-imidazo[4,5-c]quinolin-2-ylsulfanyl)acetyl]benzenesulfonamide | PDB:3MYQ | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [122] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E27 or .E272 or .E273 or :3E27;style chemicals stick;color identity;select .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASN62
3.100
ASN67
3.585
GLN92
3.404
HIS94
3.139
HIS96
3.284
GLU106
4.124
HIS119
3.309
VAL121
3.781
PHE131
3.731
VAL135
4.139
LEU141
3.620
|
|||||
| Ligand Name: Ethyl 7-methyl-3-[(4-sulfamoylphenyl)methylcarbamothioylamino]pyrazolo[1,5-a]pyrimidine-6-carboxylate | Ligand Info | |||||
| Structure Description | human carbonic anhydrase 9 mimic with compound | PDB:7MU3 | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [123] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHSFQVTFD71 DSQDKAVLKG81 GPLDGTYRLL91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDVD132 KALQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTEGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LAEGVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZOA or .ZOA2 or .ZOA3 or :3ZOA;style chemicals stick;color identity;select .A:67 or .A:69 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N~2~-(2-cyanoethyl)-N,N~2~-bis(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Complexed with 2-((2-Cyanoethyl)(phenethyl)amino)-N-phenethyl-N-(4-sulfamoylphenethyl)acetamide | PDB:6WQ4 | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [115] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .U7A or .U7A2 or .U7A3 or :3U7A;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:132 or .A:133 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASN67
4.674
ILE91
3.377
GLN92
2.943
HIS94
2.612
HIS96
2.642
GLU106
3.634
HIS119
2.559
VAL121
2.406
ASP130
3.013
PHE131
2.523
GLY132
2.339
LYS133
4.794
|
|||||
| Ligand Name: Psammaplin C | Ligand Info | |||||
| Structure Description | An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C | PDB:5G03 | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | Yes | [124] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVDKA134 LQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 EGVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OE2 or .OE22 or .OE23 or :3OE2;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.709
ASN62
4.994
HIS64
4.895
GLN67
4.792
LEU91
4.970
GLN92
3.072
HIS94
3.169
HIS96
3.321
GLU106
4.060
HIS119
3.383
VAL121
3.660
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Synthesis of novel tellurides bearing benzensulfonamide moiety as carbonic anhydrase inhibitors with antitumor activity | PDB:6PGX | ||||
| Method | X-ray diffraction | Resolution | 1.36 Å | Mutation | No | [125] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OJ4 or .OJ42 or .OJ43 or :3OJ4;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:57 or .A:58 or .A:60 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:73 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:123 or .A:131 or .A:132 or .A:135 or .A:136 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
3.837
TRP5
3.589
HIS10
3.624
ASN11
3.650
GLY12
4.538
HIS15
2.851
TRP16
3.321
HIS17
4.902
LYS18
4.092
ASP19
2.740
PHE20
3.759
LEU57
4.458
ARG58
4.882
LEU60
4.020
ASN67
3.315
GLU69
2.673
PHE70
3.455
ASP71
3.712
ASP72
2.404
SER73
4.226
ILE91
3.543
|
|||||
| Ligand Name: (~{e})-3-(4-Methoxyphenyl)but-2-Enoic Acid | Ligand Info | |||||
| Structure Description | human carbonic anhydrase II in complex with ligand | PDB:5EH8 | ||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | No | [42] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5O6 or .5O62 or .5O63 or :35O6;style chemicals stick;color identity;select .A:92 or .A:94 or .A:121 or .A:130 or .A:134 or .A:140 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[[4-[5,5-Dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase CAIX mimic in complex with inhibitor I39LT379 | PDB:6S03 | ||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | No | [76] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVV223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KPW or .KPW2 or .KPW3 or :3KPW;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (5s)-5-[(2,4-Dimethoxyphenyl)methyl]-5-Hydroxy-2-Sulfanylideneimidazolidin-4-One | Ligand Info | |||||
| Structure Description | Identification of a New Zinc Binding Chemotype by Fragment Screening | PDB:5VGY | ||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | No | [100] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9AA or .9AA2 or .9AA3 or :39AA;style chemicals stick;color identity;select .A:7 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2,4-Dichlorocinnamic acid | Ligand Info | |||||
| Structure Description | human carbonic anhydrase II in complex with ligand | PDB:5EHW | ||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | No | [42] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5OO or .5OO2 or .5OO3 or :35OO;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)adamantanecarboxamide | PDB:7JOC | ||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | Yes | [106] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ARZ or .ARZ2 or .ARZ3 or :3ARZ;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-N-methyl-4-propylsulfanyl-benzenesulfonamide | PDB:7AES | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [93] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R8Q or .R8Q2 or .R8Q3 or :3R8Q;style chemicals stick;color identity;select .A:62 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2,4,6-Trimethylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic anhydrase II bound by 2,4,6-trimethylbenzenesulfonamide | PDB:6T4N | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [72] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F1A or .F1A2 or .F1A3 or :3F1A;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-(Cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of chimeric carbonic anhydrase XII with 2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide | PDB:6YH6 | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | Yes | [98] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFKVEFDDS73 QDKAVLKGGP83 LDGTYRLTQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDAGKA134 SQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLN204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OQW or .OQW2 or .OQW3 or :3OQW;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:66 or .A:67 or .A:92 or .A:94 or .A:95 or .A:96 or .A:106 or .A:119 or .A:121 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP5
4.915
TYR7
4.293
ASN62
3.173
HIS64
3.414
SER65
3.470
PHE66
4.866
LYS67
4.484
GLN92
3.789
HIS94
3.112
PHE95
4.760
HIS96
3.249
|
|||||
| Ligand Name: 3-{[(4-Methyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl)sulfanyl]acetyl}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 3-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide | PDB:4QSB | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [126] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EWY or .EWY2 or .EWY3 or :3EWY;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Pyridin-3-ylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-Pyridin-3-yl-benzenesulfonamide | PDB:5N25 | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [112] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8HK or .8HK2 or .8HK3 or :38HK;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.766
TRP5
3.351
GLY6
4.978
HIS10
3.458
ASN11
3.611
GLY12
4.505
HIS15
2.945
TRP16
3.119
LYS18
4.223
ASP19
2.828
PHE20
3.701
GLN92
4.273
HIS94
3.220
HIS96
3.329
|
|||||
| Ligand Name: 4-[(But-2-yn-1-yl)selanyl]benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects | PDB:6D1L | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [101] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FQV or .FQV2 or .FQV3 or :3FQV;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.688
TRP5
3.551
HIS10
3.562
ASN11
3.484
GLY12
4.532
HIS15
2.872
TRP16
3.312
HIS17
4.925
LYS18
4.033
ASP19
2.642
PHE20
3.685
GLN92
3.951
HIS94
3.236
HIS96
3.270
|
|||||
| Ligand Name: 4-[(Pyrimidin-2-Ylsulfanyl)acetyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-[(2-pyrimidinylsulfanyl)acetyl]benzenesulfonamide | PDB:3SBI | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [82] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E90 or .E902 or .E903 or :3E90;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-{[(5-Bromo-1h-Benzimidazol-2-Yl)sulfanyl]acetyl}-2-Chlorobenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 5-{[(5-bromo-1H-benzimidazol-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide | PDB:3M96 | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [122] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E38 or .E382 or .E383 or :3E38;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP5
4.212
ASN62
3.669
HIS64
4.256
ASN67
3.589
GLN92
3.095
HIS94
3.237
HIS96
3.331
GLU106
4.153
HIS119
3.203
VAL121
3.873
PHE131
3.977
VAL135
3.890
|
|||||
| Ligand Name: N-(2-Hydroxyethyl)piperazine | Ligand Info | |||||
| Structure Description | Human Carbonic anhydrase II bound by 2,4,6-trimethylbenzenesulfonamide | PDB:6T4N | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [72] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MJB or .MJB2 or .MJB3 or :3MJB;style chemicals stick;color identity;select .A:161 or .A:164 or .A:165 or .A:168 or .A:225 or .A:228 or .A:229; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[({2-[(Phenylcarbamoyl)amino]ethyl}sulfonyl)amino]benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II complexed with 4-(2-(3-phenylureido)ethylsulfonamido)benzenesulfonamide | PDB:7K6I | ||||
| Method | X-ray diffraction | Resolution | 1.41 Å | Mutation | No | [117] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VYV or .VYV2 or .VYV3 or :3VYV;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:57 or .A:62 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:132 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.536
TRP5
3.559
HIS10
3.636
ASN11
3.502
GLY12
4.578
HIS15
2.765
TRP16
3.402
HIS17
4.749
LYS18
3.905
ASP19
2.858
PHE20
3.835
LEU57
3.354
ASN62
4.416
ASN67
3.636
GLU69
3.494
PHE70
2.823
ASP71
3.770
ASP72
2.888
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid | PDB:6WQ8 | ||||
| Method | X-ray diffraction | Resolution | 1.41 Å | Mutation | No | [115] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .U77 or .U772 or .U773 or :3U77;style chemicals stick;color identity;select .A:3 or .A:4 or .A:5 or .A:6 or .A:8 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:58 or .A:60 or .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:132 or .A:133 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS3
4.399
HIS4
1.548
TRP5
2.064
GLY6
4.533
GLY8
4.205
HIS10
2.631
ASN11
1.923
GLY12
4.634
HIS15
2.425
TRP16
2.350
HIS17
4.845
LYS18
3.255
ASP19
2.725
PHE20
1.957
ARG58
4.505
LEU60
3.573
ASN67
3.933
GLU69
4.316
ILE91
3.149
GLN92
3.004
HIS94
2.657
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[(4,6-Dimethylpyrimidin-2-Yl)thio]-2,3,5,6-Tetrafluorobenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of chimeric carbonic anhydrase VI with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide | PDB:6QL1 | ||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | Yes | [3] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HTFQVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDYGKA134 QQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLT204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V50 or .V502 or .V503 or :3V50;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:62 or .A:65 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
2.997
TRP5
3.215
GLY6
4.827
HIS10
3.181
ASN11
3.185
GLY12
4.478
HIS15
2.890
TRP16
3.578
LYS18
3.840
ASP19
2.773
PHE20
3.982
ASN62
4.354
THR65
4.484
GLN67
3.893
GLN92
3.514
HIS94
3.243
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-(3-Methyl-3-phenethylureido)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure for the complex of human carbonic anhydrase II and 3-(3-methyl-3-phenethylureido)benzenesulfonamide | PDB:7ASJ | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [107] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RWH or .RWH2 or .RWH3 or :3RWH;style chemicals stick;color identity;select .A:5 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of carbonic anhydrase 2 with 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | PDB:6SX9 | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [127] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LWT or .LWT2 or .LWT3 or :3LWT;style chemicals stick;color identity;select .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-[[3,4-Bis(Chloranyl)phenoxy]methyl]-1~{h}-1,2,3,4-Tetrazole | Ligand Info | |||||
| Structure Description | human carbonic anhydrase II in complex with ligand | PDB:5EH7 | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [42] |
| PDB Sequence |
WGYGKHNGPE
14 HWHKDFPIAK24 GERQSPVDID34 THTAKYDPSL44 KPLSVSYDQA54 TSLRILNNGH 64 AFNVEFDDSQ74 DKAVLKGGPL84 DGTYRLIQFH94 FHWGSLDGQG104 SEHTVDKKKY 114 AAELHLVHWN124 TKYGDFGKAV134 QQPDGLAVLG144 IFLKVGSAKP154 GLQKVVDVLD 164 SIKTKGKSAD174 FTNFDPRGLL184 PESLDYWTYP194 GSLTTPPLLE204 CVTWIVLKEP 214 ISVSSEQVLK224 FRKLNFNGEG234 EPEELMVDNW244 RPAQPLKNRQ254 IKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5O5 or .5O52 or .5O53 or :35O5;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II in complex with Beta-Galactose-2C | PDB:7RRE | ||||
| Method | X-ray diffraction | Resolution | 1.44 Å | Mutation | No | [128] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6IV or .6IV2 or .6IV3 or :36IV;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-Methylthiobenzimidazo[1,2-C][1,2,3]thiadiazol-7-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 3-methylthiobenzimidazo[1,2-c][1,2,3]thiadiazol-7-sulfonamide | PDB:3HLJ | ||||
| Method | X-ray diffraction | Resolution | 1.44 Å | Mutation | No | [129] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V21 or .V212 or .V213 or :3V21;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[3-(Phenylmethyl)imidazolidin-1-yl]carbonylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | The crystal structure of human carbonic anhydrase II in complex with 4-(3-benzylimidazolidine-1-carbonyl)benzenesulfonamide | PDB:6RHK | ||||
| Method | X-ray diffraction | Resolution | 1.44 Å | Mutation | No | [102] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K4B or .K4B2 or .K4B3 or :3K4B;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[[4-(Phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-(4-benzyl-1,4-diazepane-1-carbonyl)benzenesulfonamide | PDB:6RHJ | ||||
| Method | X-ray diffraction | Resolution | 1.44 Å | Mutation | No | [102] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K4H or .K4H2 or .K4H3 or :3K4H;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Benzeneselenol | Ligand Info | |||||
| Structure Description | Selenols: a new class of Carbonic Anhydrase inhibitors | PDB:6HX5 | ||||
| Method | X-ray diffraction | Resolution | 1.44 Å | Mutation | No | [130] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GXE or .GXE2 or .GXE3 or :3GXE;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Propazolamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide | PDB:7JNR | ||||
| Method | X-ray diffraction | Resolution | 1.44 Å | Mutation | No | [106] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VFG or .VFG2 or .VFG3 or :3VFG;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (14beta,17alpha)-2-Ethyl-17-Hydroxyestra-1(10),2,4-Trien-3-Yl Sulfamate | Ligand Info | |||||
| Structure Description | Human Carbonic anhydrase II bound by 2-Ethylestradiol 3-O-sulfamate | PDB:3OIM | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [131] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VZ5 or .VZ52 or .VZ53 or :3VZ5;style chemicals stick;color identity;select .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (9beta)-2-Ethyl-17-Oxoestra-1(10),2,4-Trien-3-Yl Sulfamate | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 2-Ethylestrone-3-O-sulfamate | PDB:3OKU | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [132] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VZ4 or .VZ42 or .VZ43 or :3VZ4;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-Hydroxy-6-Methylpyridine-2(1h)-Thione | Ligand Info | |||||
| Structure Description | Crystal structure of 1-hydroxy-6-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II | PDB:4Q7W | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [133] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6MH or .6MH2 or .6MH3 or :36MH;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide | Ligand Info | |||||
| Structure Description | Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects | PDB:6OE1 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [110] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M8V or .M8V2 or .M8V3 or :3M8V;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Hydroxyisoquinoline-1(2h)-Thione | Ligand Info | |||||
| Structure Description | Crystal structure of 2-hydroxyisoquinoline-1(2H)-thione bound to human carbonic anhydrase II | PDB:4Q8Y | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [133] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HQT or .HQT2 or .HQT3 or :3HQT;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-Aminosaccharin | Ligand Info | |||||
| Structure Description | Cyclic secondary sulfonamides: unusually good inhibitors of cancer- related carbonic anhydrase enzymes | PDB:4CQ0 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [134] |
| PDB Sequence |
WGYGKHNGPE
14 HWHKDFPIAK24 GERQSPVDID34 THTAKYDPSL44 KPLSVSYDQA54 TSLRILNNGH 64 AFNVEFDDSQ74 DKAVLKGGPL84 DGTYRLIQFH94 FHWGSLDGQG104 SEHTVDKKKY 114 AAELHLVHWN124 TKYGDFGKAV135 QQPDGLAVLG145 IFLKVGSAKP155 GLQKVVDVLD 165 SIKTKGKSAD175 FTNFDPRGLL185 PESLDYWTYP195 GSLTTPPLLE205 CVTWIVLKEP 215 ISVSSEQVLK225 FRKLNFNGEG235 EPEELMVDNW245 RPAQPLKNRQ255 IKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SXS or .SXS2 or .SXS3 or :3SXS;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Thiosalicylic acid | Ligand Info | |||||
| Structure Description | Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors | PDB:4E4A | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [4] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JKE or .JKE2 or .JKE3 or :3JKE;style chemicals stick;color identity;select .A:92 or .A:94 or .A:121 or .A:131 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Benzyl carbamate | Ligand Info | |||||
| Structure Description | HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BENZYL CARBAMATE | PDB:6H29 | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | No | [135] |
| PDB Sequence |
MSHHWGYGKH
10 NGPEHWHKDF20 PIAKGERQSP30 VDIDTHTAKY40 DPSLKPLSVS50 YDQATSLRIL 60 NNGHAFNVEF70 DDSQDKAVLK80 GGPLDGTYRL90 IQFHFHWGSL100 DGQGSEHTVD 110 KKKYAAELHL120 VHWNTKYGDF131 GKAVQQPDGL141 AVLGIFLKVG151 SAKPGLQKVV 161 DVLDSIKTKG171 KSADFTNFDP181 RGLLPESLDY191 WTYPGSLTTP201 PLLECVTWIV 211 LKEPISVSSE221 QVLKFRKLNF231 NGEGEPEELM241 VDNWRPAQPL251 KNRQIKASFK 261
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FK8 or .FK82 or .FK83 or :3FK8;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4s)-4-Methyl-N-(4-Sulfamoylphenyl)hexanamide | Ligand Info | |||||
| Structure Description | Structure of Human Carbonic Anhydrase II complexed with 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE | PDB:3OYQ | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [40] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OYQ or .OYQ2 or .OYQ3 or :3OYQ;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(7-Methylpyrazolo[3',4':4,5]thiopyrano[2,3-B]pyridin-1(4h)-Yl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with triple ring benzene sulfonamide inhibitor | PDB:3QYK | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [136] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IE2 or .IE22 or .IE23 or :3IE2;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
3.089
ASN62
3.552
HIS64
3.064
GLN92
4.126
HIS94
3.291
HIS96
3.324
GLU106
4.240
HIS119
3.414
VAL121
3.103
PHE131
3.453
VAL135
3.508
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| Ligand Name: Cyanic acid | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II V207I - cyanate inhibitor complex | PDB:4QEF | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | Yes | [137] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECITWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0NM or .0NM2 or .0NM3 or :30NM;style chemicals stick;color identity;select .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase 2 with inhibitor (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide (11g/D7) | PDB:6UFD | ||||
| Method | X-ray diffraction | Resolution | 1.48 Å | Mutation | No | [119] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q6D or .Q6D2 or .Q6D3 or :3Q6D;style chemicals stick;color identity;select .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Mercaptobenzoxazole | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH 2-MERCAPTOBENZOXAZOLE | PDB:6YQU | ||||
| Method | X-ray diffraction | Resolution | 1.48 Å | Mutation | No | [138] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P92 or .P922 or .P923 or :3P92;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:119 or .A:121 or .A:131 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-[4-(Cyclohexylmethyl)-1h-1,2,3-Triazol-1-Yl]-2,3,5,6-Tetrafluorobenzenesulfonamide | Ligand Info | |||||
| Structure Description | hCA II in complex with novel sulfonamide inhibitors Set D | PDB:4DZ9 | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | No | [139] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ID4 or .ID42 or .ID43 or :3ID4;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:136 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLN92
3.012
HIS94
2.624
HIS96
3.299
GLU106
4.205
HIS119
3.179
VAL121
2.176
PHE131
2.690
GLY132
3.128
VAL135
2.983
GLN136
4.378
LEU141
4.384
|
|||||
| Ligand Name: Benzyl(methyl)carbamodithioic acid | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase in complex with Benzyl (Methyl) Carbamodithoic Acid | PDB:3P58 | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | No | [140] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P58 or .P582 or .P583 or :3P58;style chemicals stick;color identity;select .A:62 or .A:64 or .A:65 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Butazolamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide | PDB:7JNV | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | No | [106] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VFJ or .VFJ2 or .VFJ3 or :3VFJ;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
3.700
TRP5
3.177
GLY6
4.724
HIS10
3.406
ASN11
3.066
GLY12
4.351
HIS15
2.932
TRP16
2.988
HIS17
4.940
LYS18
3.901
ASP19
2.880
PHE20
4.214
ILE91
3.920
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Methyl 1-(2,3,5,6-Tetrafluoro-4-Sulfamoylphenyl)-1h-1,2,3-Triazole-4-Carboxylate | Ligand Info | |||||
| Structure Description | hCA II in complex with novel sulfonamide inhibitors Set D | PDB:4DZ7 | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | No | [141] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D02 or .D022 or .D023 or :3D02;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Morpholine-4-carbodithioic acid | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase complexed with Sodium morpholinocarbodithioate | PDB:3P5A | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | No | [142] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IT2 or .IT22 or .IT23 or :3IT2;style chemicals stick;color identity;select .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (5r)-5-Phenyl-1,3-Thiazolidine-2,4-Dione | Ligand Info | |||||
| Structure Description | Identification of a New Zinc Binding Chemotype by Fragment Screening | PDB:5TYA | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [100] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7QS or .7QS2 or .7QS3 or :37QS;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (6s)-2,6-Anhydro-6-{[(3r)-3-(Sulfamoyloxy)pyrrolidin-1-Yl]sulfonyl}-D-Glucitol | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in Complex with a Carbohydrate-Based Sulfamate | PDB:4R5B | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [143] |
| PDB Sequence |
MSHHWGYGKH
10 NGPEHWHKDF20 PIAKGERQSP30 VDIDTHTAKY40 DPSLKPLSVS50 YDQATSLRIL 60 NNGHAFNVEF70 DDSQDKAVLK80 GGPLDGTYRL90 IQFHFHWGSL100 DGQGSEHTVD 110 KKKYAAELHL120 VHWNTKYGDF131 GKAVQQPDGL141 AVLGIFLKVG151 SAKPGLQKVV 161 DVLDSIKTKG171 KSADFTNFDP181 RGLLPESLDY191 WTYPGSLTTP201 PLLECVTWIV 211 LKEPISVSSE221 QVLKFRKLNF231 NGEGEPEELM241 VDNWRPAQPL251 KNRQIKASFK 261
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3J4 or .3J42 or .3J43 or :33J4;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-Hydroxy-4-Methylpyridin-2(1h)-One | Ligand Info | |||||
| Structure Description | Crystal structure of 1-hydroxy-4-methylpyridin-2(1H)-one bound to human carbonic anhydrase II | PDB:4Q8Z | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [133] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4HO or .4HO2 or .4HO3 or :34HO;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-4-(2-hydroxyethylsulfanyl)-N-methyl-benzenesulfonamide | PDB:7AEQ | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [93] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R8N or .R8N2 or .R8N3 or :3R8N;style chemicals stick;color identity;select .A:62 or .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2,6-Dihydroxybenzoic acid | Ligand Info | |||||
| Structure Description | Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors | PDB:4E3F | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [4] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GRE or .GRE2 or .GRE3 or :3GRE;style chemicals stick;color identity;select .A:5 or .A:6 or .A:7 or .A:8 or .A:11 or .A:72 or .A:91 or .A:92 or .A:94 or .A:121 or .A:130 or .A:131 or .A:132 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:231 or .A:239 or .A:242; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.847
GLY6
3.566
TYR7
2.920
GLY8
3.362
ASN11
3.226
ASP72
4.393
ILE91
3.753
GLN92
3.681
HIS94
3.782
VAL121
3.303
ASP130
3.038
|
|||||
| Ligand Name: 2-Chloro-4-{[(4-Methyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl)sulfanyl]acetyl}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide | PDB:4QSA | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [126] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EWW or .EWW2 or .EWW3 or :3EWW;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Mercapto-1,3-benzoxazole-5-sulfonamide | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH A SULFONAMIDE DERIVATIVE OF 2-MERCAPTOBENZOXAZOLE | PDB:6YQT | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [138] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P9E or .P9E2 or .P9E3 or :3P9E;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.205
TRP5
3.298
GLY6
4.880
HIS10
3.035
ASN11
3.461
GLY12
4.495
HIS15
3.074
TRP16
3.303
LYS18
4.374
ASP19
2.696
PHE20
4.019
GLN92
3.982
HIS94
3.210
HIS96
3.345
|
|||||
| Ligand Name: 3-[(5-Ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoic acid | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with 3-((5-(ethoxycarbonyl)-4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoic acid | PDB:7QGY | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [90] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D9I or .D9I2 or .D9I3 or :3D9I;style chemicals stick;color identity;select .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(4-Cyanophenyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the inhibitor b4'-Cyano-biphenyl-4-sulfonic acid amide | PDB:5N24 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [112] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8HE or .8HE2 or .8HE3 or :38HE;style chemicals stick;color identity;select .A:3 or .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS3
3.287
HIS4
3.655
TRP5
3.407
GLY6
4.835
HIS10
3.307
ASN11
3.548
GLY12
4.590
HIS15
3.058
TRP16
3.159
LYS18
4.217
ASP19
2.818
PHE20
3.913
GLN92
4.355
HIS94
3.221
HIS96
3.336
|
|||||
| Ligand Name: 4-(Sulfamoylamino)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the 4-sulfamido-benzenesulfonamide inhibitor | PDB:3V5G | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [144] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0F3 or .0F32 or .0F33 or :30F3;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:57 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:73 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.687
TRP5
3.712
GLY6
4.995
HIS10
3.640
ASN11
3.594
GLY12
4.395
HIS15
2.819
TRP16
3.311
LYS18
4.098
ASP19
2.792
PHE20
3.355
LEU57
4.351
ASN67
4.302
GLU69
3.799
PHE70
3.043
ASP71
3.638
ASP72
2.723
|
|||||
| Ligand Name: 4-({4-Chloro-6-[(2-Hydroxyethyl)amino]-1,3,5-Triazin-2-Yl}amino)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor | PDB:3MMF | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [145] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D9H or .D9H2 or .D9H3 or :3D9H;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-({[2-(1-Methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | PDB:3N3J | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [146] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WWV or .WWV2 or .WWV3 or :3WWV;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLN92
3.087
HIS94
2.585
HIS96
3.272
GLU106
3.710
HIS119
3.222
VAL121
2.625
PHE131
2.586
GLY132
4.224
VAL135
2.120
LEU141
4.637
VAL143
3.131
|
|||||
| Ligand Name: 4-({[6-(Benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-benzylamino-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide | PDB:3MHM | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [94] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J75 or .J752 or .J753 or :3J75;style chemicals stick;color identity;select .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:132 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Cyano-4-Phenylpiperidine-1-Carbodithioic Acid | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase complexed with sodium 4-cyano-4-phenylpiperidine-1-carbodithioate | PDB:3P5L | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [140] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IT5 or .IT52 or .IT53 or :3IT5;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II complexed with ureic benzene sulfonamide MB9-561B | PDB:6OTO | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [147] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N84 or .N842 or .N843 or :3N84;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-Methyl-2-Sulfanylphenol | Ligand Info | |||||
| Structure Description | Crystal structure of 2-mercapto-4-methylphenol bound to human carbonic anhydrase II | PDB:4Q99 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [133] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HT4 or .HT42 or .HT43 or :3HT4;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[(Cyclopentylcarbamoyl)amino]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human carbonic ahydrase II in complex with a benzenesulfonamide inhibitor | PDB:3MZC | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [146] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S6I or .S6I2 or .S6I3 or :3S6I;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[(Pentafluorophenyl)carbamoyl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | PDB:3N0N | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [146] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P9B or .P9B2 or .P9B3 or :3P9B;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5'-Sulfamoyl-2-chloroadenosine | Ligand Info | |||||
| Structure Description | Carbonic anhydrase 2 in complex with 2-chloro-5'-O-sulfamoyladenosine | PDB:6C7X | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [105] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EO7 or .EO72 or .EO73 or :3EO7;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-(1h-Benzimidazol-1-Ylacetyl)-2-Chlorobenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 5-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide | PDB:3M98 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [148] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E02 or .E022 or .E023 or :3E02;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Methyl N-{4-Chloro-6-[(4-Sulfamoylphenyl)amino]-1,3,5-Triazin-2-Yl}glycinate | Ligand Info | |||||
| Structure Description | The crystal structure of human carbonic anhydrase Ii in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor | PDB:3MNA | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [145] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DWH or .DWH2 or .DWH3 or :3DWH;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(5-Sulfamoyl-1,3-Benzoxazol-2-Yl)benzamide | Ligand Info | |||||
| Structure Description | New method for synthesis of benzoxazole amide inhibitors of carbonic anhydrase | PDB:5TFX | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [149] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7B1 or .7B12 or .7B13 or :37B1;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (5r)-5-(2,4-Dimethoxyphenyl)-1,3-Oxazolidine-2,4-Dione | Ligand Info | |||||
| Structure Description | Identification of a New Zinc Binding Chemotype by Fragment Screening | PDB:5TY9 | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [100] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7QV or .7QV2 or .7QV3 or :37QV;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-({[1-(Beta-D-Glucopyranosyl)-1h-1,2,3-Triazol-4-Yl]methyl}[(1-Phenyl-1h-1,2,3-Triazol-4-Yl)methyl]amino)-5-Sulfamoyl-1,3,4-Thiadiazole | Ligand Info | |||||
| Structure Description | Human Carbonic anhydrases II in complex with a acetazolamide derivative comprising one hydrophobic and one hydrophilic tail moiety | PDB:4RN4 | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [150] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3T7 or .3T72 or .3T73 or :33T7;style chemicals stick;color identity;select .A:67 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN67
4.263
ASP72
4.494
ILE91
3.401
GLN92
2.727
HIS94
3.250
HIS96
3.294
GLU106
4.093
HIS119
3.434
VAL121
3.742
PHE130
3.196
GLY131
3.989
|
|||||
| Ligand Name: (5r)-5-[(2,4-Dimethoxyphenyl)methyl]-1,3-Thiazolidine-2,4-Dione | Ligand Info | |||||
| Structure Description | Identification of a New Zinc Binding Chemotype by Fragment Screening | PDB:5U0G | ||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | No | [100] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7QY or .7QY2 or .7QY3 or :37QY;style chemicals stick;color identity;select .A:5 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (R)-(-)-Ibuprofen | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II in complex with Ibuprofen | PDB:8DJ9 | ||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | No | [151] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IZP or .IZP2 or .IZP3 or :3IZP;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-Mercapto-4-methylpyridine | Ligand Info | |||||
| Structure Description | Crystal structure of 4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II | PDB:4Q90 | ||||
| Method | X-ray diffraction | Resolution | 1.54 Å | Mutation | No | [133] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4H2 or .4H22 or .4H23 or :34H2;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Hydroxy-3-(Trifluoromethyl)pyridine-2(1h)-Thione | Ligand Info | |||||
| Structure Description | Crystal structure of 1-hydroxy-3-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II | PDB:4Q83 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [133] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3FH or .3FH2 or .3FH3 or :33FH;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Hydroxy-4,6-Dimethylpyridine-2(1h)-Thione | Ligand Info | |||||
| Structure Description | Crystal structure of 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione bound to human carbonic anhydrase II | PDB:4Q81 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [133] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7MH or .7MH2 or .7MH3 or :37MH;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:119 or .A:121 or .A:131 or .A:141 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Hydroxy-4-(Trifluoromethyl)pyridine-2(1h)-Thione | Ligand Info | |||||
| Structure Description | Crystal structure of 1-hydroxy-4-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II | PDB:4Q87 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [133] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4FH or .4FH2 or .4FH3 or :34FH;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Hydroxy-5-(Trifluoromethyl)pyridine-2(1h)-Thione | Ligand Info | |||||
| Structure Description | Crystal structure of 1-hydroxy-5-(trifluoromethyl)pyridine-2(1H)-thione bound to human carbonic anhydrase II | PDB:4Q8X | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [133] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7FH or .7FH2 or .7FH3 or :37FH;style chemicals stick;color identity;select .A:92 or .A:94 or .A:119 or .A:121 or .A:131 or .A:143 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 3-Methylbenzenethiol | Ligand Info | |||||
| Structure Description | Crystal structure of 3-methylthiophenol bound to human carbonic anhydrase II | PDB:4Q9Y | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [133] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M3T or .M3T2 or .M3T3 or :3M3T;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-chloranyl-~{N}-(2-hydroxyethyl)-2-(phenylsulfonyl)-5-sulfamoyl-benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 2-(benzenesulfonyl)-4-chloro-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | PDB:6R6J | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [99] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JTW or .JTW2 or .JTW3 or :3JTW;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.497
TYR7
4.997
ASN62
3.820
HIS64
3.735
ALA65
3.930
ASN67
3.407
GLN92
3.161
HIS94
3.241
HIS96
3.255
GLU106
4.078
HIS119
3.288
VAL121
3.805
|
|||||
| Ligand Name: 4-[(2-Phenylethyl)Thio]Benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(phenethylthio)benzenesulfonamide | PDB:6GOT | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | No | [152] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6W or .F6W2 or .F6W3 or :3F6W;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (5r)-5-(2,4-Dimethoxyphenyl)-2-Sulfanylidene-1,3-Oxazolidin-4-One | Ligand Info | |||||
| Structure Description | Identification of a New Zinc Binding Chemotype by Fragment Screening | PDB:5U0D | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [100] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7R7 or .7R72 or .7R73 or :37R7;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2s)-2-Tert-Butyl-N-(4-Sulfamoylphenyl)pentanamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with 1-(4-(4-(2-(ISOPROPYLSULFONYL)PHENYLAMINO)-1H-PYRROLO[2,3-B]PYRIDIN-6-YLAMINO)-3-METHOXYPHENYL)PIPERIDIN-4-OL | PDB:3OY0 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [40] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OY0 or .OY02 or .OY03 or :3OY0;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of carbonic anhydrase 2 with (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | PDB:6SYB | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [153] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LYQ or .LYQ2 or .LYQ3 or :3LYQ;style chemicals stick;color identity;select .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 1-(5-Amino-1,3,4-thiadiazol-2-YL)-1,1-difluoromethanesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic anhydrase II in complex with novel inhibitors | PDB:2EU3 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [92] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FF3 or .FF32 or .FF33 or :3FF3;style chemicals stick;color identity;select .A:62 or .A:65 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Hydroxy-5-Methylpyridine-2(1h)-Thione | Ligand Info | |||||
| Structure Description | Crystal structure of 1-hydroxy-5-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II | PDB:4Q7V | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [133] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5MH or .5MH2 or .5MH3 or :35MH;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,5-Dihydroxybenzoic acid | Ligand Info | |||||
| Structure Description | Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors | PDB:4E3D | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [4] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GTQ or .GTQ2 or .GTQ3 or :3GTQ;style chemicals stick;color identity;select .A:5 or .A:6 or .A:7 or .A:8 or .A:11 or .A:92 or .A:94 or .A:119 or .A:121 or .A:131 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:231 or .A:239 or .A:242; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[(6-Chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-[N-(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide | PDB:3M40 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [94] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J45 or .J452 or .J453 or :3J45;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[(2-{[(4-Methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase IX mimic complexed with 4-(2-(3-(4-methylphenyl)ureido)ethylsulfonamido)benzenesulfonamide | PDB:7K6U | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [117] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VYY or .VYY2 or .VYY3 or :3VYY;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:95 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209 or .A:244; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP5
3.692
TYR7
3.330
ASN62
4.068
HIS64
3.586
SER65
3.488
GLN67
3.157
LEU91
3.812
GLN92
2.718
HIS94
3.272
PHE95
4.342
HIS96
3.256
GLU106
4.116
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-{[(4-Fluorophenyl)carbamoyl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | PDB:3N4B | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [146] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WWZ or .WWZ2 or .WWZ3 or :3WWZ;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-(2-Chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide | Ligand Info | |||||
| Structure Description | Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties | PDB:3DCC | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [43] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D9Z or .D9Z2 or .D9Z3 or :3D9Z;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-(Phenylsulfonyl)thiophene-2-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 5-(phenylsulfonyl)thiophene-2-sulfonamide | PDB:4LHI | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [154] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WWL or .WWL2 or .WWL3 or :3WWL;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 5-[[3,4-Bis(Chloranyl)phenoxy]methyl]-1~{h}-1,2,3,4-Tetrazole | Ligand Info | |||||
| Structure Description | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | PDB:5FNI | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [42] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YIH or .YIH2 or .YIH3 or :3YIH;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(4-Sulfamoyl-Phenoxy)-Butylammonium | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium | PDB:4RFD | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | No | [155] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3O5 or .3O52 or .3O53 or :33O5;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:206 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
3.376
TRP5
2.619
GLY6
4.477
HIS10
2.681
ASN11
2.916
GLY12
4.486
HIS15
2.939
TRP16
2.333
LYS18
3.070
ASP19
2.839
PHE20
3.186
GLN92
3.785
HIS94
2.652
HIS96
3.343
GLU106
4.145
HIS119
3.080
|
|||||
| Ligand Name: (1r)-1,5-Anhydro-1-{[4-(Sulfamoyloxy)piperidin-1-Yl]sulfonyl}-D-Galactitol | Ligand Info | |||||
| Structure Description | A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate | PDB:4R59 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [143] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHSFQVTFDD72 SQDKAVLKGG82 PLDGTYRLLQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTEGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 AECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3J3 or .3J32 or .3J33 or :33J3;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:201 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-Hydroxy-3-Methylpyridine-2(1h)-Thione | Ligand Info | |||||
| Structure Description | Crystal Structure of 1-hydroxy-3-methylpyridine-2(1H)-thione bound to hCAII | PDB:4Q7P | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [133] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3MH or .3MH2 or .3MH3 or :33MH;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:119 or .A:121 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{2-[(6-Chloro-5-Nitropyrimidin-4-Yl)amino]ethyl}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-chloro-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide | PDB:3M2N | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [82] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J74 or .J742 or .J743 or :3J74;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[(3-Nitrophenyl)carbamoyl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | PDB:3N2P | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [146] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AYX or .AYX2 or .AYX3 or :3AYX;style chemicals stick;color identity;select .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-{[(4,6-Dimethylpyrimidin-2-Yl)sulfanyl]acetyl}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | PDB:3SBH | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [82] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E65 or .E652 or .E653 or :3E65;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 5-Hydroxy-2-Methyl-4h-Pyran-4-Thione | Ligand Info | |||||
| Structure Description | Structure of a bidentate 3-hydroxy-4H-pyran-4-thione ligand bound to hCAII | PDB:4MLX | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [156] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TM7 or .TM72 or .TM73 or :3TM7;style chemicals stick;color identity;select .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 6,7-Dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide | Ligand Info | |||||
| Structure Description | Structure of inhibitor binding to Carbonic Anhydrase II | PDB:3IGP | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [157] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DT7 or .DT72 or .DT73 or :3DT7;style chemicals stick;color identity;select .A:2 or .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER2
4.564
HIS4
3.729
TRP5
3.459
GLY6
4.944
HIS10
3.306
ASN11
3.522
GLY12
4.493
HIS15
2.615
TRP16
3.384
HIS17
4.870
LYS18
3.895
ASP19
2.810
PHE20
3.840
GLN92
3.816
|
|||||
| Ligand Name: Tert-Butyl 4-(4-Sulfamoylphenoxy)butylcarbamate | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | PDB:4RFC | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [155] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3O1 or .3O12 or .3O13 or :33O1;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[(2-{[(4-Fluorophenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II complexed with 4-(2-(3-(4-fluorophenyl)ureido)ethylsulfonamido)benzenesulfonamide | PDB:7K6L | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [117] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VZD or .VZD2 or .VZD3 or :3VZD;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:57 or .A:62 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:136 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.050
TRP5
3.455
GLY6
4.918
HIS10
3.334
ASN11
3.635
GLY12
4.684
HIS15
2.783
TRP16
3.276
HIS17
4.756
LYS18
3.823
ASP19
2.794
PHE20
3.777
LEU57
3.529
ASN62
4.488
ASN67
4.168
GLU69
3.587
PHE70
2.834
ASP71
3.709
ASP72
2.691
ILE91
3.441
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-[(3-Chloranylphenoxy)methyl]-1,2,4-Triaza-3-Azanidacyclopenta-1,4-Diene | Ligand Info | |||||
| Structure Description | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | PDB:5FNH | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [42] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YIP or .YIP2 or .YIP3 or :3YIP;style chemicals stick;color identity;select .A:52 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:180 or .A:182 or .A:183 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-[(4-Chloranylphenoxy)methyl]-1h-1,2,3,4-Tetrazole | Ligand Info | |||||
| Structure Description | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | PDB:5FLO | ||||
| Method | X-ray diffraction | Resolution | 1.66 Å | Mutation | No | [42] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J4K or .J4K2 or .J4K3 or :3J4K;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase 2 with inhibitor (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide (11a/D1) | PDB:6UFB | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [119] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q64 or .Q642 or .Q643 or :3Q64;style chemicals stick;color identity;select .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (E)-3-(4-Chlorophenyl)but-2-Enoic Acid | Ligand Info | |||||
| Structure Description | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | PDB:5FLS | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [42] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6ZX or .6ZX2 or .6ZX3 or :36ZX;style chemicals stick;color identity;select .A:92 or .A:94 or .A:121 or .A:131 or .A:135 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Ethoxyphenylacetic acid | Ligand Info | |||||
| Structure Description | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | PDB:5FNJ | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [42] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YI6 or .YI62 or .YI63 or :3YI6;style chemicals stick;color identity;select .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:123 or .A:130 or .A:131 or .A:132 or .A:141 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{2-[(6-Methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide | PDB:3M3X | ||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | No | [94] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JS7 or .JS72 or .JS73 or :3JS7;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2s,3r,4s,5r,6r)-3,4,5-Trihydroxy-6-(Hydroxymethyl)oxane-2-Sulfonamide | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with 1-S-D-Galactopyranosylsulfonamide | PDB:3HKQ | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [10] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1SD or .1SD2 or .1SD3 or :31SD;style chemicals stick;color identity;select .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4as,4br,10bs,12as)-12a-Methyl-1,3-Dioxo-2-(Pyridin-3-Ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-Dodecahydronaphtho[2,1-F]isoquinolin-8-Yl Sulfamate | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with STX237 | PDB:3C7P | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [158] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .POF or .POF2 or .POF3 or :3POF;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:136 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(Benzylamino)-3,5,6-Trifluoro-4-[(2-Phenylethyl)sulfanyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 2-(Benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)thio]benzene- sulfonamide | PDB:5DOG | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [77] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5DT or .5DT2 or .5DT3 or :35DT;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:92 or .A:94 or .A:95 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209 or .A:244; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP5
3.658
TYR7
3.002
ASN62
4.680
HIS64
2.814
ALA65
3.464
ASN67
4.941
GLN92
3.969
HIS94
3.178
PHE95
4.384
HIS96
2.947
GLU106
4.045
HIS119
3.050
VAL121
3.246
PHE131
3.266
|
|||||
| Ligand Name: 2-Methylimidazole | Ligand Info | |||||
| Structure Description | Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure | PDB:4HEW | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [120] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 AAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2MZ or .2MZ2 or .2MZ3 or :32MZ;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-({[6-Chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide | PDB:3M5E | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [94] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JDR or .JDR2 or .JDR3 or :3JDR;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Benzyloxyphenylacetic acid | Ligand Info | |||||
| Structure Description | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | PDB:5FLQ | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [42] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IO2 or .IO22 or .IO23 or :3IO2;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[(5-Nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5-nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]methyl}benzenesulfonamide | PDB:3MHI | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [94] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J90 or .J902 or .J903 or :3J90;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.520
TRP5
3.375
GLY6
4.931
HIS10
3.572
ASN11
3.340
GLY12
4.631
HIS15
2.677
TRP16
3.173
HIS17
4.668
LYS18
3.910
ASP19
2.720
PHE20
3.762
GLN92
3.817
HIS94
3.214
HIS96
3.410
|
|||||
| Ligand Name: 5-(2-Morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the inhibitor 5-[2-(morpholine-4-carbonyl)1,3-oxazol-5-yl)]thiophene-2-sulfonammide | PDB:5NEE | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [113] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8V5 or .8V52 or .8V53 or :38V5;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Momo-2-[4-(2-(4-(Methoxy)-1h-1,2,3-Triazol-1-Yl)ethyl)benzenesulfonamide]-7,12-Bis-[3-(4-(Methoxy)-1h-1,2,3-Triazol-1-Yl)propanoic Acid]-Cryptophane-A | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with Cryptophane biosensor and xenon | PDB:3CYU | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [27] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0CR or .0CR2 or .0CR3 or :30CR;style chemicals stick;color identity;select .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:133 or .A:135 or .A:136 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE20
4.858
GLN92
3.636
HIS94
3.420
HIS96
3.581
GLU106
4.377
HIS119
3.359
VAL121
3.487
PHE131
3.392
GLY132
3.318
LYS133
4.977
VAL135
4.329
|
|||||
| Ligand Name: Momo-2-[4-(2-(4-(Methoxy)-1h-1,2,3-Triazol-1-Yl)ethyl)benzenesulfonamide]-7,12-Bis-[3-(4-(Methoxy)-1h-1,2,3-Triazol-1-Yl)propanoic Acid]-Cryptophane-A | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with Cryptophane biosensor and xenon | PDB:3CYU | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [27] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1CR or .1CR2 or .1CR3 or :31CR;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:132 or .A:133 or .A:136 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-[(2-Chloranylphenoxy)methyl]-1h-1,2,3,4-Tetrazole | Ligand Info | |||||
| Structure Description | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | PDB:5FLP | ||||
| Method | X-ray diffraction | Resolution | 1.71 Å | Mutation | No | [42] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6J5 or .6J52 or .6J53 or :36J5;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(Benzylamino)-2,5,6-Trifluoro-4-[(2-Phenylethyl)sulfonyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with inhibitor | PDB:4QJM | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [109] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V1F or .V1F2 or .V1F3 or :3V1F;style chemicals stick;color identity;select .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN62
3.152
HIS64
3.230
ALA65
4.745
ASN67
3.145
ILE91
3.378
GLN92
3.122
HIS94
3.168
HIS96
3.232
GLU106
4.006
HIS119
3.381
VAL121
2.955
|
|||||
| Ligand Name: 3-[(Sulfamoylamino)methyl]-1-benzothiophene | Ligand Info | |||||
| Structure Description | Crystal structure of Human Carbonic Anhydrase II in complex with the anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog. | PDB:5FDC | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [159] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5WN or .5WN2 or .5WN3 or :35WN;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[(5-Butylpyrimidin-2-Yl)sulfanyl]acetyl}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5-butyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | PDB:3SAP | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [82] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E2I or .E2I2 or .E2I3 or :3E2I;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:136 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Naphthalene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic anhydrase II bound by napthalene-1-sulfonamide | PDB:6T4P | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [72] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MHK or .MHK2 or .MHK3 or :3MHK;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Hydroxy-4-Methylpyridine-2(1h)-Thione | Ligand Info | |||||
| Structure Description | Crystal Structure of 1-hydroxy-4-methylpyridine-2(1H)-thione bound to human carbonic anhydrase II | PDB:4Q7S | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [133] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2YU or .2YU2 or .2YU3 or :32YU;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,3,4-Tri-O-Propanoyl-6-O-Sulfamoyl-Alpha-D-Glucopyranose | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates | PDB:3T83 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [160] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SG5 or .SG52 or .SG53 or :3SG5;style chemicals stick;color identity;select .A:5 or .A:7 or .A:60 or .A:62 or .A:64 or .A:65 or .A:66 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP5
4.579
TYR7
4.606
LEU60
3.894
ASN62
3.311
HIS64
4.156
ALA65
3.486
PHE66
3.565
ASN67
3.025
GLN92
3.463
HIS94
3.193
HIS96
3.451
GLU106
3.797
|
|||||
| Ligand Name: 2,3,4-Tri-O-Propanoyl-6-O-Sulfamoyl-Beta-D-Glucopyranose | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates | PDB:3T83 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [160] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MG5 or .MG52 or .MG53 or :3MG5;style chemicals stick;color identity;select .A:7 or .A:60 or .A:62 or .A:64 or .A:65 or .A:66 or .A:67 or .A:92 or .A:94 or .A:95 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR7
4.760
LEU60
3.894
ASN62
3.311
HIS64
4.615
ALA65
3.380
PHE66
3.565
ASN67
3.025
GLN92
3.463
HIS94
3.193
PHE95
4.924
HIS96
3.451
GLU106
3.797
|
|||||
| Ligand Name: 2-(2-Methyl-5-Nitro-1h-Imidazol-1-Yl)ethyl Sulfamate | Ligand Info | |||||
| Structure Description | The crystal structure of the human carbonic anhydrase II in complex with a nitroimidazole sulfamate inhibitor | PDB:5O07 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [161] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1VQ or .1VQ2 or .1VQ3 or :31VQ;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(3-Chloro-4-Hydroxyphenyl)-N-[2-(4-Sulfamoylphenyl)ethyl]acetamide | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with 2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide | PDB:3NB5 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [162] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R21 or .R212 or .R213 or :3R21;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:129 or .A:130 or .A:131 or .A:134 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(7-Methoxy-2-Oxo-2h-Chromen-4-Yl)-N-(4-Sulfamoylphenyl)acetamide | Ligand Info | |||||
| Structure Description | Human carbonic anhydsase II in complex with an aryl sulfonamide inhibitor | PDB:3ML2 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [163] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SU0 or .SU02 or .SU03 or :3SU0;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE91
4.764
GLN92
2.996
HIS94
2.523
HIS96
3.034
GLU106
4.232
HIS119
3.133
VAL121
2.579
ASP130
4.992
PHE131
2.620
GLY132
2.416
VAL135
2.872
LEU141
4.538
|
|||||
| Ligand Name: 2-Chloro-4-{[(4,6-Dimethylpyrimidin-2-Yl)sulfanyl]acetyl}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 2-Chloro-4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide | PDB:4KNI | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [164] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E1E or .E1E2 or .E1E3 or :3E1E;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide | PDB:3M67 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [122] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E36 or .E362 or .E363 or :3E36;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP5
4.545
ASN62
3.640
HIS64
4.197
ASN67
3.609
GLN92
3.236
HIS94
3.135
HIS96
3.332
GLU106
4.270
HIS119
3.398
VAL121
3.793
PHE131
3.850
VAL135
3.711
|
|||||
| Ligand Name: 2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide | Ligand Info | |||||
| Structure Description | X ray structure of the complex between carbonic anhydrase II and LC inhibitors | PDB:3FFP | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [165] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LC1 or .LC12 or .LC13 or :3LC1;style chemicals stick;color identity;select .X:91 or .X:92 or .X:94 or .X:96 or .X:106 or .X:119 or .X:121 or .X:131 or .X:143 or .X:197 or .X:198 or .X:199 or .X:200 or .X:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethylsulfamide | Ligand Info | |||||
| Structure Description | The crystal structure of the human carbonic anhydrase II in complex with N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide | PDB:4MO8 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [166] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2VQ or .2VQ2 or .2VQ3 or :32VQ;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-Chloro-4-{[(1-Hydroxy-2,2,6,6-Tetramethylpiperidin-4-Yl)carbamothioyl]amino}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between Carbonic Anhydrase II and a spin-labeled sulfonamide incorporating TEMPO moiety | PDB:3EFT | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [167] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3BS or .3BS2 or .3BS3 or :33BS;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 3-[(Aminosulfonylamino)methyl]benzo[b]thiophene 1,1-dioxide | Ligand Info | |||||
| Structure Description | Crystal structure of Human Carbonic Anhydrase II with the anticonvulsant sulfamide JNJ-26990990 and its S,S-dioxide analog. | PDB:5FDI | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [159] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5WM or .5WM2 or .5WM3 or :35WM;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase inhibitors. Interaction of 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies | PDB:3B4F | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [168] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TUO or .TUO2 or .TUO3 or :3TUO;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[5-(Dimethylamino)-1,3,4-Thiadiazol-2-Yl]methanesulfonamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase inhibitors. Interaction of 2-N,N-Dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies | PDB:3BL0 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [169] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BL0 or .BL02 or .BL03 or :3BL0;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-(Cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate | Ligand Info | |||||
| Structure Description | Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD-486019 with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies | PDB:3DD8 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [170] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2C7 or .2C72 or .2C73 or :32C7;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase inhibitors. Comparison of chlorthalidone and indapamide X-ray crystal structures in adducts with isozyme II: when three water molecules make the difference | PDB:3F4X | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [171] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KLT or .KLT2 or .KLT3 or :3KLT;style chemicals stick;color identity;select .A:5 or .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(1,3-Benzothiazol-2-Ylsulfanyl)-2,3,5,6-Tetrakis(Fluoranyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-(1,3-Benzothiazol-2-ylthio)-2,3,5,6-tetrafluorobenzenesulfonamide | PDB:5LLH | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [81] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V49 or .V492 or .V493 or :3V49;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 4-(1-Adamantylamino)-2,3,5,6-Tetrakis(Fluoranyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-(1-Adamantylamino)-2,3,5,6-tetrafluorobenzenesulfonamide | PDB:5LLE | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [81] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .V51 or .V512 or .V513 or :3V51;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-{[(6-Methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide | PDB:3MHL | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [94] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J71 or .J712 or .J713 or :3J71;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Aminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | SECONDARY INTERACTIONS SIGNIFICANTLY REMOVED FROM THE SULFONAMIDE BINDING POCKET OF CARBONIC ANHYDRASE II INFLUENCE BINDING CONSTANTS | PDB:1CNX | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [172] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EG2 or .EG22 or .EG23 or :3EG2;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:136 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Carbonotrithioic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between Carbonic Anhydrase II and anions | PDB:3K7K | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [173] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KCS or .KCS2 or .KCS3 or :3KCS;style chemicals stick;color identity;select .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Hydrogen Sulfide | Ligand Info | |||||
| Structure Description | CRYSTALLOGRAPHIC STUDIES OF THE BINDING OF PROTONATED AND UNPROTONATED INHIBITORS TO CARBONIC ANHYDRASE USING HYDROGEN SULPHIDE AND NITRATE ANIONS | PDB:1CAO | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [174] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H2S or .H2S2 or .H2S3 or :3H2S;style chemicals stick;color identity;select .A:94 or .A:96 or .A:106 or .A:119 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-{[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl}sulfamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase inhibitors: Clashing with Ala65 as a means of designing isozyme-selective inhibitors that show low affinity for the ubiquitous isozyme II | PDB:2H15 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [175] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B19 or .B192 or .B193 or :3B19;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:66 or .A:67 or .A:92 or .A:94 or .A:95 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.677
TYR7
4.361
ASN62
2.746
HIS64
4.178
ALA65
3.091
PHE66
4.724
ASN67
3.394
GLN92
3.364
HIS94
3.140
PHE95
4.956
HIS96
3.060
|
|||||
| Ligand Name: 5-{[(4-Tert-Butyl-6-Oxo-1,6-Dihydropyrimidin-2-Yl)sulfanyl]acetyl}-2-Chlorobenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase isozyme II with 5-{[(4-tert-buthyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}-2-chlorobenzenesulfonamide | PDB:4QSI | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [126] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EWZ or .EWZ2 or .EWZ3 or :3EWZ;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
3.457
ASN62
3.423
HIS64
3.938
ASN67
3.552
GLN92
3.346
HIS94
3.261
HIS96
3.327
GLU106
4.138
HIS119
3.311
VAL121
3.575
PHE131
4.101
|
|||||
| Ligand Name: (2S)-2,3-bis(nitrooxy)propyl ethyl[(4S,6S)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate | Ligand Info | |||||
| Structure Description | Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma | PDB:3K2F | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [176] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NKX or .NKX2 or .NKX3 or :3NKX;style chemicals stick;color identity;select .A:4 or .A:5 or .A:62 or .A:64 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:170 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
4.468
TRP5
3.398
ASN62
2.710
HIS64
3.044
ASN67
3.180
ILE91
4.818
GLN92
2.919
HIS94
3.177
HIS96
3.440
GLU106
4.172
HIS119
3.267
|
|||||
| Ligand Name: (2Z)-3-{2-hydroxy-5-[(1S)-1-hydroxy-3-methylbutyl]-4-methoxyphenyl}prop-2-enoic acid | Ligand Info | |||||
| Structure Description | Coumarins are a novel class of suicide carbonic anhydrase inhibitors | PDB:3F8E | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [177] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TE1 or .TE12 or .TE13 or :3TE1;style chemicals stick;color identity;select .A:58 or .A:60 or .A:62 or .A:64 or .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:121 or .A:131 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (S)-2-Acetamido-N-benzyl-3-methoxypropanamide | Ligand Info | |||||
| Structure Description | The coumarin-binding site in carbonic anhydrase: the antiepileptic lacosamide as an example | PDB:3IEO | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [178] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AMJ or .AMJ2 or .AMJ3 or :3AMJ;style chemicals stick;color identity;select .A:64 or .A:67 or .A:91 or .A:92 or .A:94 or .A:121 or .A:131 or .A:141 or .A:198; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3,4-Di-O-Acetyl-6-O-Sulfamoyl-Alpha-D-Glucopyranose | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates | PDB:3T82 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [160] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SG4 or .SG42 or .SG43 or :3SG4;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(4-Sulfamoylphenyl)-N-[6-({(6z)-2-[(2z)-2-(1,3,3-Trimethyl-1,3-Dihydro-2h-Indol-2-Ylidene)ethyl]-6-[(2e)-2-(1,3,3-Trimethyl-1,3-Dihydro-2h-Indol-2-Ylidene)ethylidene]cyclohex-1-En-1-Yl}amino)hexyl]propanamide | Ligand Info | |||||
| Structure Description | Crystal structure of carbonic anhydrase II in complex with a Nir inhibitor | PDB:3NJ9 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [179] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TE2 or .TE22 or .TE23 or :3TE2;style chemicals stick;color identity;select .A:19 or .A:20 or .A:22 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:136 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP19
4.780
PHE20
3.600
ILE22
3.829
GLN92
3.726
HIS94
2.983
HIS96
3.341
GLU106
4.120
HIS119
2.815
VAL121
3.420
PHE131
3.457
VAL135
3.942
|
|||||
| Ligand Name: 3-Chloro-N-[(2e)-4-Methoxy-4-Oxobut-2-Enoyl]-L-Tyrosine | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with (+)-Xylariamide A | PDB:3P4V | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [162] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PMX or .PMX2 or .PMX3 or :3PMX;style chemicals stick;color identity;select .A:62 or .A:67 or .A:92 or .A:94 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:201 or .A:203 or .A:206 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-hydroxy-2-methyl-4H-pyran-4-thione | Ligand Info | |||||
| Structure Description | Structure of a monodentate 3-hydroxy-4H-pyran-4-thione ligand bound to hCAII | PDB:4MLT | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [156] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TM4 or .TM42 or .TM43 or :3TM4;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-O-Acetyl-6-O-Sulfamoyl-Alpha-D-Galactopyranose | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates | PDB:3T84 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [160] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SG6 or .SG62 or .SG63 or :3SG6;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:66 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.691
TYR7
4.724
ASN62
2.910
HIS64
3.785
ALA65
3.720
PHE66
4.968
ASN67
2.625
GLN92
3.221
HIS94
3.073
HIS96
3.302
GLU106
3.760
|
|||||
| Ligand Name: Aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | SECONDARY INTERACTIONS SIGNIFICANTLY REMOVED FROM THE SULFONAMIDE BINDING POCKET OF CARBONIC ANHYDRASE II INFLUENCE BINDING CONSTANTS | PDB:1CNW | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [172] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EG1 or .EG12 or .EG13 or :3EG1;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: P-(4-Ferrocenyl-1h-1,2,3-Triazol-1-Yl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with p-(4-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide | PDB:3P55 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [180] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .670 or .6702 or .6703 or :3670;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 5-[(4-Chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene | Ligand Info | |||||
| Structure Description | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | PDB:5FNG | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [42] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YIE or .YIE2 or .YIE3 or :3YIE;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (S)-Indapamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase inhibitors. Sulfonamide diuretics revisited old leads for new applications | PDB:3BL1 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [181] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BL1 or .BL12 or .BL13 or :3BL1;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[2-(1H-imidazol-4-yl)ethyl]-2,4,6-trimethylpyridinium | Ligand Info | |||||
| Structure Description | Crystal structure of teh complex between CA II and the activator MAI | PDB:3HFP | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [182] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MIZ or .MIZ2 or .MIZ3 or :3MIZ;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:121 or .A:131 or .A:135 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(Nitrooxy)butyl 3-[(5-Sulfamoyl-1,3,4-Thiadiazol-2-Yl)sulfamoyl]benzoate | Ligand Info | |||||
| Structure Description | Carbonic anhydrase inhibitor: C1 family | PDB:3NI5 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [183] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C1H or .C1H2 or .C1H3 or :3C1H;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Sulfamic acid 2,3-o-(1-methylethylidene)-4,5-o-sulfonyl-beta-fructopyranose ester | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH AN ANTICONVULSANT SUGAR SULFAMATE | PDB:1EOU | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [184] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SMS or .SMS2 or .SMS3 or :3SMS;style chemicals stick;color identity;select .A:62 or .A:64 or .A:65 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN62
3.441
HIS64
3.753
ALA65
4.998
ASN67
3.133
GLN92
3.116
HIS94
3.225
HIS96
3.312
GLU106
4.014
HIS119
3.461
VAL121
3.922
PHE130
3.226
|
|||||
| Ligand Name: 8-({[4-(3-Aminopropoxy)-8-({[4-Hydroxy-8-({[4-(2-Methylpropoxy)-8-({[4-(3-{[(4-Sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-Yl]carbonyl}amino)quinolin-2-Yl]carbonyl}amino)quinolin-2-Yl]carbonyl}amino)-4-(Carboxymethoxy)quinoline-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Carbonic Anhydrase II in complex with a quinoline oligoamide foldamer | PDB:4LP6 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [75] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q4I or .Q4I2 or .Q4I3 or :3Q4I;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:201 or .A:203 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 8-Amino-4-[3-hydroxy-2-(hydroxymethyl)propoxy]quinoline-2-carbaldehyde | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER | PDB:5L70 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [185] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QOL or .QOL2 or .QOL3 or :3QOL;style chemicals stick;color identity;select .A:203; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: P-(4-Ruthenocenyl-1h-1,2,3-Triazol-1-Yl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with p-(4-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide | PDB:3P44 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [180] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .067 or .0672 or .0673 or :3067;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-Methyl-3-oxo-1,3-dihydro-benzo[c]isothiazole-5-sulfonic acid amide | Ligand Info | |||||
| Structure Description | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 0134-36 | PDB:1KWR | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [186] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SG2 or .SG22 or .SG23 or :3SG2;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | SECONDARY INTERACTIONS SIGNIFICANTLY REMOVED FROM THE SULFONAMIDE BINDING POCKET OF CARBONIC ANHYDRASE II INFLUENCE BINDING CONSTANTS | PDB:1CNY | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [172] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EG3 or .EG32 or .EG33 or :3EG3;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:136 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3,4-Di-O-Acetyl-6-O-Sulfamoyl-Alpha-D-Mannopyranose | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates | PDB:3T85 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [160] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SG7 or .SG72 or .SG73 or :3SG7;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-Nitro-4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonamide | Ligand Info | |||||
| Structure Description | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH INHIBITOR 2000-07 | PDB:1KWQ | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [186] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SG1 or .SG12 or .SG13 or :3SG1;style chemicals stick;color identity;select .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 8-Amino-4-(2-ethylbutoxy)quinoline-2-carbaldehyde | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER | PDB:5L6T | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [187] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QCL or .QCL2 or .QCL3 or :3QCL;style chemicals stick;color identity;select .A:201 or .A:203; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[2-(3,4-Dimethoxyphenyl)ethyl]-4-Sulfamoylbenzamide | Ligand Info | |||||
| Structure Description | Complex of human carbonic anhydrase II with N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide | PDB:3V7X | ||||
| Method | X-ray diffraction | Resolution | 1.03 Å | Mutation | No | [188] |
| PDB Sequence |
HHWGYGKHNG
1012 PEHWHKDFPI1022 AKGERQSPVD1032 IDTHTAKYDP1042 SLKPLSVSYD1052 QATSLRILNN 1062 GHAFNVEFDD1072 SQDKAVLKGG1082 PLDGTYRLIQ1092 FHFHWGSLDG1102 QGSEHTVDKK 1112 KYAAELHLVH1122 WNTKYGDFGK1133 AVQQPDGLAV1143 LGIFLKVGSA1153 KPGLQKVVDV 1163 LDSIKTKGKS1173 ADFTNFDPRG1183 LLPESLDYWT1193 YPGSLTTPPL1203 LECVTWIVLK 1213 EPISVSSEQV1223 LKFRKLNFNG1233 EGEPEELMVD1243 NWRPAQPLKN1253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D7A or .D7A2 or .D7A3 or :3D7A;style chemicals stick;color identity;select .A:1092 or .A:1094 or .A:1096 or .A:1106 or .A:1119 or .A:1121 or .A:1131 or .A:1132 or .A:1135 or .A:1143 or .A:1197 or .A:1198 or .A:1199 or .A:1200 or .A:1201 or .A:1202 or .A:1204 or .A:1209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(6-Methoxy-3,4-Dihydroisoquinolin-1-Yl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Complex of human carbonic anhydrase II with 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide | PDB:3VBD | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [188] |
| PDB Sequence |
HHWGYGKHNG
1012 PEHWHKDFPI1022 AKGERQSPVD1032 IDTHTAKYDP1042 SLKPLSVSYD1052 QATSLRILNN 1062 GHAFNVEFDD1072 SQDKAVLKGG1082 PLDGTYRLIQ1092 FHFHWGSLDG1102 QGSEHTVDKK 1112 KYAAELHLVH1122 WNTKYGDFGK1133 AVQQPDGLAV1143 LGIFLKVGSA1153 KPGLQKVVDV 1163 LDSIKTKGKS1173 ADFTNFDPRG1183 LLPESLDYWT1193 YPGSLTTPPL1203 LECVTWIVLK 1213 EPISVSSEQV1223 LKFRKLNFNG1233 EGEPEELMVD1243 NWRPAQPLKN1253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0FZ or .0FZ2 or .0FZ3 or :30FZ;style chemicals stick;color identity;select .A:1067 or .A:1091 or .A:1092 or .A:1094 or .A:1096 or .A:1106 or .A:1119 or .A:1121 or .A:1131 or .A:1143 or .A:1197 or .A:1198 or .A:1199 or .A:1200 or .A:1201 or .A:1202 or .A:1209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1,3-Thiazole-2-Sulfonamide | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II (F131Y/L198A) complexed with 1,3-thiazole-2-sulfonamide | PDB:5JGT | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [62] |
| PDB Sequence |
AHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDYG131 KAVQQPDGLA141 VLGIFLKVGS151 AKPGLQKVVD 161 VLDSIKTKGK171 SADFTNFDPR181 GLLPESLDYW191 TYPGSATTPP201 LLECVTWIVL 211 KEPISVSSEQ221 VLKFRKLNFN231 GEGEPEELMV241 DNWRPAQPLK251 NRQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EVI or .EVI2 or .EVI3 or :3EVI;style chemicals stick;color identity;select .B:4 or .B:5 or .B:6 or .B:10 or .B:11 or .B:12 or .B:15 or .B:16 or .B:18 or .B:19 or .B:20 or .B:92 or .B:94 or .B:96 or .B:106 or .B:119 or .B:121 or .B:130 or .B:134 or .B:140 or .B:142 or .B:196 or .B:197 or .B:198 or .B:199 or .B:200 or .B:201 or .B:206 or .B:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
3.317
TRP5
2.756
GLY6
3.745
HIS10
3.162
ASN11
2.622
GLY12
3.859
HIS15
2.691
TRP16
1.584
LYS18
3.221
ASP19
2.733
PHE20
3.303
GLN92
4.028
HIS94
2.730
HIS96
2.546
GLU106
3.608
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[(4-Bromophenyl)sulfonylamino]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Inhibitor RA2 | PDB:5NXI | ||||
| Method | X-ray diffraction | Resolution | 1.16 Å | Mutation | No | [63] |
| PDB Sequence |
AHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9DE or .9DE2 or .9DE3 or :39DE;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: n-Propyl-4-sulfamoylbenzamide | Ligand Info | |||||
| Structure Description | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | PDB:3RYY | ||||
| Method | X-ray diffraction | Resolution | 1.16 Å | Mutation | No | [189] |
| PDB Sequence |
HWGYGGHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RYY or .RYY2 or .RYY3 or :3RYY;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:180 or .A:182 or .A:183 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLN92
3.813
HIS94
3.225
HIS96
3.358
GLU106
4.231
HIS119
3.351
VAL121
3.743
PHE131
3.194
VAL135
4.618
LEU141
4.823
VAL143
3.764
ASP180
2.977
|
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| Ligand Name: 5-(4-Chlorobenzylthio)thiophene-2-sulfonamide | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase II in complex with 5-[(4Chlorobenzyl)sulfanyl]thiophene-2-sulfonamide | PDB:5MJN | ||||
| Method | X-ray diffraction | Resolution | 1.17 Å | Mutation | No | [190] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7O8 or .7O82 or .7O83 or :37O8;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-Ethyl-4-Sulfamoylbenzamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase complexed with N-ethyl-4-sulfamoylbenzamide | PDB:3RYV | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [189] |
| PDB Sequence |
HWGYGGHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RYV or .RYV2 or .RYV3 or :3RYV;style chemicals stick;color identity;select .B:92 or .B:94 or .B:96 or .B:106 or .B:119 or .B:121 or .B:131 or .B:141 or .B:143 or .B:197 or .B:198 or .B:199 or .B:200 or .B:201 or .B:202 or .B:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-(1-Naphthalen-1-Yl-1,2,3-Triazol-4-Yl)thiophene-2-Sulfonamide | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide | PDB:4BF1 | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [191] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9FK or .9FK2 or .9FK3 or :39FK;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 2-(But-2-Yn-1-Ylsulfamoyl)-4-Sulfamoylbenzoic Acid | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase II in complex with 2-(But-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid | PDB:5AML | ||||
| Method | X-ray diffraction | Resolution | 1.36 Å | Mutation | No | [192] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .51J or .51J2 or .51J3 or :351J;style chemicals stick;color identity;select .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(2,2,3,3,4,4,4-Heptafluorobutyl)-4-Sulfamoylbenzamide | Ligand Info | |||||
| Structure Description | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | PDB:3RYZ | ||||
| Method | X-ray diffraction | Resolution | 1.37 Å | Mutation | No | [189] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RYZ or .RYZ2 or .RYZ3 or :3RYZ;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase complexed with 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide | PDB:3RYJ | ||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | No | [189] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RYJ or .RYJ2 or .RYJ3 or :3RYJ;style chemicals stick;color identity;select .B:92 or .B:94 or .B:96 or .B:106 or .B:119 or .B:121 or .B:131 or .B:135 or .B:141 or .B:143 or .B:197 or .B:198 or .B:199 or .B:200 or .B:201 or .B:202 or .B:204 or .B:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-[(2r)-5-(Aminosulfonyl)-2,3-Dihydro-1h-Inden-2-Yl]-2-Propylpentanamide | Ligand Info | |||||
| Structure Description | Crystal structure of the complex of hcaii with an indane-sulfonamide inhibitor | PDB:2QO8 | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [51] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3CC or .3CC2 or .3CC3 or :33CC;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-Amino-4-oxo-1,4-dihydroquinoline-2-carboxylic acid | Ligand Info | |||||
| Structure Description | Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries | PDB:5LVS | ||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | No | [193] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG131 KAVQQPDGLA141 VLGIFLKVGS151 AKPGLQKVVD 161 VLDSIKTKGK171 SADFTNFDPR181 GLLPESLDYW191 TYPGSLTTPP201 LLECVTWIVL 211 KEPISVSSEQ221 VLKFRKLNFN231 GEGEPEELMV241 DNWRPAQPLK251 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QVS or .QVS2 or .QVS3 or :3QVS;style chemicals stick;color identity;select .A:3 or .A:19 or .A:20; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 8-Azanyl-4-(2-Hydroxy-2-Oxoethyloxy)quinoline-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries | PDB:5LVS | ||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | No | [193] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG131 KAVQQPDGLA141 VLGIFLKVGS151 AKPGLQKVVD 161 VLDSIKTKGK171 SADFTNFDPR181 GLLPESLDYW191 TYPGSLTTPP201 LLECVTWIVL 211 KEPISVSSEQ221 VLKFRKLNFN231 GEGEPEELMV241 DNWRPAQPLK251 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QVE or .QVE2 or .QVE3 or :3QVE;style chemicals stick;color identity;select .A:2 or .A:3; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 8-Azanyl-4-(2-Methylpropoxy)quinoline-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries | PDB:5LVS | ||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | No | [193] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG131 KAVQQPDGLA141 VLGIFLKVGS151 AKPGLQKVVD 161 VLDSIKTKGK171 SADFTNFDPR181 GLLPESLDYW191 TYPGSLTTPP201 LLECVTWIVL 211 KEPISVSSEQ221 VLKFRKLNFN231 GEGEPEELMV241 DNWRPAQPLK251 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QUJ or .QUJ2 or .QUJ3 or :3QUJ;style chemicals stick;color identity;select .A:130 or .A:131 or .A:134 or .A:135; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 8-Azanyl-4-(3-Azanylpropoxy)quinoline-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries | PDB:5LVS | ||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | No | [193] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG131 KAVQQPDGLA141 VLGIFLKVGS151 AKPGLQKVVD 161 VLDSIKTKGK171 SADFTNFDPR181 GLLPESLDYW191 TYPGSLTTPP201 LLECVTWIVL 211 KEPISVSSEQ221 VLKFRKLNFN231 GEGEPEELMV241 DNWRPAQPLK251 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QUK or .QUK2 or .QUK3 or :3QUK;style chemicals stick;color identity;select .A:3 or .A:20; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[[3-(4-formamidobutoxy)phenyl]methyl]-4-sulfamoylbenzamide | Ligand Info | |||||
| Structure Description | Self-assembled protein-aromatic foldamer complexes with 2:3 and 2:2:1 stoichiometries | PDB:5LVS | ||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | No | [193] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG131 KAVQQPDGLA141 VLGIFLKVGS151 AKPGLQKVVD 161 VLDSIKTKGK171 SADFTNFDPR181 GLLPESLDYW191 TYPGSLTTPP201 LLECVTWIVL 211 KEPISVSSEQ221 VLKFRKLNFN231 GEGEPEELMV241 DNWRPAQPLK251 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6H0 or .6H02 or .6H03 or :36H0;style chemicals stick;color identity;select .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[(Prop-2-en-1-yl)selanyl]benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Design, Synthesis, X-ray and Biological Activities of Selenides Bearing the Benzenesulfonamide Moiety as New Class of Agents for Prevention of Diabetic Cerebrovascular Pathology | PDB:6CEH | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [194] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EZ1 or .EZ12 or .EZ13 or :3EZ1;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
3.778
TRP5
3.569
HIS10
3.605
ASN11
3.673
GLY12
4.603
HIS15
2.842
TRP16
3.273
HIS17
4.937
LYS18
4.010
ASP19
2.698
PHE20
3.660
GLN92
4.046
HIS94
3.284
HIS96
3.332
|
|||||
| Ligand Name: 2-Chloro-5-nitrobenzenesulfonamide | Ligand Info | |||||
| Structure Description | The crystal structure of the complex of hcaII with a bioreductive antitumor derivative | PDB:2QP6 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [195] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MB1 or .MB12 or .MB13 or :3MB1;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Amino(Aminooxy)sulfane Dioxide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with hydroxylamine-O-sulfonamide, a molecule incorporating two zinc-binding groups. | PDB:4YVY | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [196] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4J3 or .4J32 or .4J33 or :34J3;style chemicals stick;color identity;select .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (1r)-6,7-Dimethoxy-1-Methyl-3,4-Dihydroisoquinoline-2(1h)-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II with 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide | PDB:3PO6 | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [197] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RDT or .RDT2 or .RDT3 or :3RDT;style chemicals stick;color identity;select .A:3 or .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (1s)-6,7-Dimethoxy-1-Methyl-3,4-Dihydroisoquinoline-2(1h)-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II with 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide | PDB:3PO6 | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [197] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DT9 or .DT92 or .DT93 or :3DT9;style chemicals stick;color identity;select .A:62 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-Methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate | Ligand Info | |||||
| Structure Description | A chimeric microtubule disruptor with efficacy on a taxane resistant cell line | PDB:2WD2 | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | No | [198] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 AVLKGGPLDG86 TYRLIQFHFH96 WGSLDGQGSE106 HTVDKKKYAA 116 ELHLVHWNTK127 YGDFGKAVQQ137 PDGLAVLGIF147 LKVGSAKPGL157 QKVVDVLDSI 167 KTKGKSADFT177 NFDPRGLLPE187 SLDYWTYPGS197 LTTPPLLECV207 TWIVLKEPIS 217 VSSEQVLKFR227 KLNFNGEGEP237 EELMVDNWRP247 AQPLKNRQIK257 ASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MS5 or .MS52 or .MS53 or :3MS5;style chemicals stick;color identity;select .A:7 or .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[(2-Phenylethyl)sulfamoyl]-4-Sulfamoylbenzoic Acid | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase II in complex with 2-((2-Phenylethyl)sulfamoyl)-4-sulfamoylbenzoic acid | PDB:5AMD | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [192] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .45I or .45I2 or .45I3 or :345I;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN62
3.878
HIS64
4.165
ASN67
2.849
GLN92
3.002
HIS94
3.406
HIS96
3.481
GLU106
4.002
HIS119
3.091
VAL121
3.675
PHE131
3.204
VAL135
3.889
|
|||||
| Ligand Name: 2-[(S)-Benzylsulfinyl]benzoic Acid | Ligand Info | |||||
| Structure Description | THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH AN ORTHO-SUBSTITUTED BENZOIC ACID | PDB:4QY3 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [199] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3G1 or .3G12 or .3G13 or :33G1;style chemicals stick;color identity;select .A:5 or .A:6 or .A:7 or .A:8 or .A:11 or .A:63 or .A:170 or .A:231 or .A:232 or .A:233 or .A:236 or .A:239; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(2,2,3,3,4,4,5,5,5-Nonafluoropentyl)-4-Sulfamoylbenzamide | Ligand Info | |||||
| Structure Description | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | PDB:3RZ1 | ||||
| Method | X-ray diffraction | Resolution | 1.51 Å | Mutation | No | [189] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RZ1 or .RZ12 or .RZ13 or :3RZ1;style chemicals stick;color identity;select .B:92 or .B:94 or .B:96 or .B:106 or .B:119 or .B:121 or .B:131 or .B:132 or .B:135 or .B:141 or .B:143 or .B:197 or .B:198 or .B:199 or .B:200 or .B:201 or .B:202 or .B:204 or .B:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(Pentylsulfamoyl)-4-Sulfamoylbenzoic Acid | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase II in complex with 2-(Pentylsulfamoyl)-4-sulfamoylbenzoic acid | PDB:5AMG | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [192] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IW7 or .IW72 or .IW73 or :3IW7;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: n4-beta-d-Glucosylsulfanilamide | Ligand Info | |||||
| Structure Description | Crystal structure analysis of human carbonic anhydrase II in complex with a benzenesulfonamide derivative | PDB:2HL4 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [200] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASF |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BO1 or .BO12 or .BO13 or :3BO1;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-({[4-(Aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | carbonic anhydrase II in complex with N-4-sulfonamidphenyl-N'-4-methylbenzosulfonylurease as sulfonamide inhibitor | PDB:1ZFK | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | No | [201] |
| PDB Sequence |
HWGYGKHNGP
1013 EHWHKDFPIA1023 KGERQSPVDI1033 DTHTAKYDPS1043 LKPLSVSYDQ1053 ATSLRILNNG 1063 HAFNVEFDDS1073 QDKAVLKGGP1083 LDGTYRLIQF1093 HFHWGSLDGQ1103 GSEHTVDKKK 1113 YAAELHLVHW1123 NTKYGDFGKA1134 VQQPDGLAVL1144 GIFLKVGSAK1154 PGLQKVVDVL 1164 DSIKTKGKSA1174 DFTNFDPRGL1184 LPESLDYWTY1194 PGSLTTPPLL1204 ECVTWIVLKE 1214 PISVSSEQVL1224 KFRKLNFNGE1234 GEPEELMVDN1244 WRPAQPLKNR1254 QIKASF |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NR2 or .NR22 or .NR23 or :3NR2;style chemicals stick;color identity;select .A:1057 or .A:1067 or .A:1069 or .A:1070 or .A:1071 or .A:1072 or .A:1073 or .A:1091 or .A:1092 or .A:1094 or .A:1096 or .A:1106 or .A:1119 or .A:1121 or .A:1131 or .A:1135 or .A:1143 or .A:1197 or .A:1198 or .A:1199 or .A:1200 or .A:1201 or .A:1202 or .A:1204 or .A:1209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU1057
3.345
ASN1067
4.084
GLU1069
3.929
PHE1070
2.926
ASP1071
2.473
ASP1072
3.269
SER1073
3.611
ILE1091
3.281
GLN1092
3.586
HIS1094
3.213
HIS1096
3.381
GLU1106
4.331
HIS1119
3.391
|
|||||
| Ligand Name: 2-Mercaptophenol | Ligand Info | |||||
| Structure Description | Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study | PDB:2OSM | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [202] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HTS or .HTS2 or .HTS3 or :3HTS;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:206 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-(2,2,3,3,3-Pentafluoropropyl)-4-Sulfamoylbenzamide | Ligand Info | |||||
| Structure Description | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | PDB:3RYX | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [189] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RYX or .RYX2 or .RYX3 or :3RYX;style chemicals stick;color identity;select .B:92 or .B:94 or .B:96 or .B:106 or .B:119 or .B:121 or .B:131 or .B:135 or .B:141 or .B:143 or .B:197 or .B:198 or .B:199 or .B:200 or .B:201 or .B:202 or .B:204 or .B:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate | Ligand Info | |||||
| Structure Description | Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study | PDB:2OSF | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [202] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S24 or .S242 or .S243 or :3S24;style chemicals stick;color identity;select .A:57 or .A:67 or .A:68 or .A:69 or .A:70 or .A:71 or .A:72 or .A:91 or .A:92; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(4-Sulfamoylphenethyl)-2,4,6-triphenylpyridinium | Ligand Info | |||||
| Structure Description | X-Ray crystal structure of the human carbonic anhydrase II adduct with a membrane-impermeant inhibitor | PDB:6EQU | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [203] |
| PDB Sequence |
GMSHHWGYGK
9 HNGPEHWHKD19 FPIAKGERQS29 PVDIDTHTAK39 YDPSLKPLSV49 SYDQATSLRI 59 LNNGHAFNVE69 FDDSQDKAVL79 KGGPLDGTYR89 LIQFHFHWGS99 LDGQGSEHTV 109 DKKKYAAELH119 LVHWNTKYGD130 FGKAVQQPDG140 LAVLGIFLKV150 GSAKPGLQKV 160 VDVLDSIKTK170 GKSADFTNFD180 PRGLLPESLD190 YWTYPGSLTT200 PPLLECVTWI 210 VLKEPISVSS220 EQVLKFRKLN230 FNGEGEPEEL240 MVDNWRPAQP250 LKNRQIKASF 260 K
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BVE or .BVE2 or .BVE3 or :3BVE;style chemicals stick;color identity;select .A:0 or .A:3 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY0
4.270
HIS3
4.781
ASN62
3.633
HIS64
3.359
ASN67
2.881
GLN92
3.254
HIS94
3.269
HIS96
3.374
GLU106
4.180
HIS119
3.459
VAL121
3.880
|
|||||
| Ligand Name: 4-Amino-3,5-dichlorobenzenesulfonamide | Ligand Info | |||||
| Structure Description | carbonic anhydrase II in complex with p-Sulfonamido-o,o'-dichloroaniline as sulfonamide inhibitor | PDB:1ZGE | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [204] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SDA or .SDA2 or .SDA3 or :3SDA;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: n-Methoxybenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human carbonic anhydrase II in complex with N-methoxy-benzenesulfonamide | PDB:3T5Z | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [205] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B09 or .B092 or .B093 or :3B09;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-Pentyl-4-Sulfamoylbenzamide | Ligand Info | |||||
| Structure Description | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | PDB:3RZ5 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [189] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RZ5 or .RZ52 or .RZ53 or :3RZ5;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Carbonic anhydrase inhibitor 4 | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase with a benzophenone-derivative | PDB:7NTB | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [206] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .URH or .URH2 or .URH3 or :3URH;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:136 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-Hexyl-4-Sulfamoylbenzamide | Ligand Info | |||||
| Structure Description | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | PDB:3RZ8 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [189] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RZ8 or .RZ82 or .RZ83 or :3RZ8;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-{[({2-[4-(Aminosulfonyl)phenyl]ethyl}amino)carbonothioyl]amino}-2-(6-Hydroxy-3-Oxo-3h-Xanthen-9-Yl)benzoic Acid | Ligand Info | |||||
| Structure Description | Tne Crystal Structure of the Human Carbonic Anhydrase II in Complex with a Fluorescent Inhibitor | PDB:2F14 | ||||
| Method | X-ray diffraction | Resolution | 1.71 Å | Mutation | No | [207] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FL1 or .FL12 or .FL13 or :3FL1;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-Hydroxybenzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human carbonic anhydrase II in complex with N-hydroxy benzenesulfonamide | PDB:3T5U | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [205] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A09 or .A092 or .A093 or :3A09;style chemicals stick;color identity;select .A:4 or .A:5 or .A:7 or .A:8 or .A:10 or .A:11 or .A:12 or .A:13 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:58 or .A:60 or .A:67 or .A:69 or .A:70 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:103 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209 or .A:243 or .A:244 or .A:245 or .A:246 or .A:247; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.981
TRP5
3.202
TYR7
3.189
GLY8
4.853
HIS10
3.459
ASN11
3.533
GLY12
4.249
PRO13
3.368
HIS15
2.624
TRP16
3.463
LYS18
3.569
ASP19
2.703
PHE20
4.073
ARG58
4.122
LEU60
3.968
ASN67
3.269
GLU69
2.579
PHE70
4.078
ASP72
4.845
ILE91
3.492
|
|||||
| Ligand Name: 2-Bromo-4-{[(4-cyanophenyl)(4H-1,2,4-triazol-4-YL)amino]methyl}phenyl sulfamate | Ligand Info | |||||
| Structure Description | Structure of human carbonic anhydrase II with 4-[(3-bromo-4-O-sulfamoylbenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]-triazole | PDB:1XQ0 | ||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | No | [208] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4TR or .4TR2 or .4TR3 or :34TR;style chemicals stick;color identity;select .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1,1'-(Oxydimethanediyl)dipyrrolidine-2,5-Dione | Ligand Info | |||||
| Structure Description | Synthetic Dimer of Human Carbonic Anhydrase II | PDB:3PJJ | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [209] |
| PDB Sequence |
HHWGYGKHNG
13 PEHWHKDFPI23 AKGERQSPVD33 IDTHTAKYDP43 SLKPLSVSYD53 QATSLRILNN 63 GHAFNVEFDD73 SQDKAVLKGG83 PLDGTYRLIQ93 FHFHWGSLDG103 QGSEHTVDKK 113 KYAAELHLVH123 WNTKYGDFGC133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LESVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MZH or .MZH2 or .MZH3 or :3MZH;style chemicals stick;color identity;select .A:128 or .A:130 or .A:132 or .A:133 or .A:136; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-Chloro-2'-Cyano-5'-(1h-1,2,4-Triazol-1-Ylmethyl)biphenyl-4-Yl Sulfamate | Ligand Info | |||||
| Structure Description | Highly Potent First Examples of Dual Aromatase-Steroid Sulfatase Inhibitors based on a Biphenyl Template | PDB:2WD3 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [210] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MS4 or .MS42 or .MS43 or :3MS4;style chemicals stick;color identity;select .A:60 or .A:62 or .A:67 or .A:69 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:123 or .A:129 or .A:130 or .A:131 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:201 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU60
3.722
ASN62
3.422
ASN67
3.639
GLU69
3.081
ASP72
3.102
ILE91
3.553
GLN92
3.274
HIS94
3.039
HIS96
3.434
GLU106
4.172
HIS119
3.348
VAL121
3.657
|
|||||
| Ligand Name: 4-(Aminosulfonyl)-N-[(3,4,5-trifluorophenyl)methyl]-benzamide | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-BENZAMIDE | PDB:1I9Q | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [211] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IOF or .IOF2 or .IOF3 or :3IOF;style chemicals stick;color identity;select .A:57 or .A:69 or .A:70 or .A:71 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU57
3.249
GLU69
3.698
PHE70
3.023
ASP71
4.072
ASP72
2.941
ILE91
3.138
GLN92
3.587
HIS94
2.861
HIS96
2.935
GLU106
3.992
HIS119
2.956
VAL121
3.225
|
|||||
| Ligand Name: 4-Sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl)benzamide | Ligand Info | |||||
| Structure Description | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | PDB:3RZ7 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [189] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RZ7 or .RZ72 or .RZ73 or :3RZ7;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:136 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-Butyl-4-Sulfamoylbenzamide | Ligand Info | |||||
| Structure Description | Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the Hydrophobic Wall of Carbonic Anhydrase | PDB:3RZ0 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [189] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RZ0 or .RZ02 or .RZ03 or :3RZ0;style chemicals stick;color identity;select .B:92 or .B:94 or .B:96 or .B:106 or .B:119 or .B:121 or .B:131 or .B:135 or .B:141 or .B:143 or .B:197 or .B:198 or .B:199 or .B:200 or .B:201 or .B:202 or .B:204 or .B:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron containing aromatic sulfamide with mammalian isoforms I-XV | PDB:3MNU | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [212] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BON or .BON2 or .BON3 or :3BON;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-[1-(3-Cyanophenyl)-1,2,3-Triazol-4-Yl]thiophene-2-Sulfonamide | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-(3-Cyanophenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide | PDB:4BF6 | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | No | [191] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X0Q or .X0Q2 or .X0Q3 or :3X0Q;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(Aminosulfonyl)-N-[(2,4-difluorophenyl)methyl]-benzamide | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-BENZAMIDE | PDB:1I9M | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | Yes | [211] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .INW or .INW2 or .INW3 or :3INW;style chemicals stick;color identity;select .A:57 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU57
3.748
ASN67
4.063
GLU69
3.061
PHE70
2.494
ASP71
4.139
ASP72
2.740
ILE91
3.642
GLN92
3.518
HIS94
3.029
HIS96
2.354
GLU106
3.308
HIS119
2.822
VAL121
3.573
|
|||||
| Ligand Name: n-(2,3,4,5,6-Pentaflouro-benzyl)-4-sulfamoyl-benzamide | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]-BENZAMIDE | PDB:1G4J | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | Yes | [54] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FFB or .FFB2 or .FFB3 or :3FFB;style chemicals stick;color identity;select .A:57 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:73 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU57
3.018
ASN67
4.950
GLU69
3.647
PHE70
3.000
ASP71
4.027
ASP72
2.542
SER73
4.804
ILE91
3.606
GLN92
3.187
HIS94
2.875
HIS96
2.960
GLU106
4.005
HIS119
3.014
VAL121
3.254
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (17beta)-17-(Cyanomethyl)-2-Methoxyestra-1(10),2,4-Trien-3-Yl Sulfamate | Ligand Info | |||||
| Structure Description | Crystal structure of the human carbonic anhydrase II in complex with STX 641 at 1.85 angstroms resolution | PDB:3BET | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [213] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CTF or .CTF2 or .CTF3 or :3CTF;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-Hydroxybenzamide | Ligand Info | |||||
| Structure Description | The crystal structure of human carbonic anhydrase II in complex with N-(Hydroxy)-benzamide | PDB:4FL7 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [214] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BHO or .BHO2 or .BHO3 or :3BHO;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(Aminosulfonyl)-N-[(2,3,4-trifluorophenyl)methyl]-benzamide | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-BENZAMIDE | PDB:1I9O | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | Yes | [211] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IOC or .IOC2 or .IOC3 or :3IOC;style chemicals stick;color identity;select .A:57 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU57
3.720
ASN67
4.823
GLU69
3.608
PHE70
2.655
ASP71
3.852
ASP72
2.717
ILE91
3.277
GLN92
3.443
HIS94
3.296
HIS96
3.040
GLU106
3.960
HIS119
3.184
|
|||||
| Ligand Name: 4-(Aminosulfonyl)-N-[(2,5-difluorophenyl)methyl]-benzamide | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-BENZAMIDE | PDB:1I9N | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | Yes | [211] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IOA or .IOA2 or .IOA3 or :3IOA;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Cyanamide | Ligand Info | |||||
| Structure Description | THE MECHANISM OF CYANAMIDE HYDRATION CATALYZED BY CARBONIC ANHYDRASE II REVEALED BY CRYOGENIC X-RAY DIFFRACTION | PDB:1F2W | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [215] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CNN or .CNN2 or .CNN3 or :3CNN;style chemicals stick;color identity;select .A:94 or .A:96 or .A:106 or .A:119 or .A:198 or .A:199 or .A:200; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Trifluoromethanesulfonamide | Ligand Info | |||||
| Structure Description | X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND A NEW TOPICAL INHIBITOR, TRIFLUOROMETHANE SULPHONAMIDE | PDB:1BCD | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [216] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FMS or .FMS2 or .FMS3 or :3FMS;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(Aminosulfonyl)-N-[(2,4,6-trifluorophenyl)methyl]-benzamide | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-BENZAMIDE | PDB:1I9P | ||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | Yes | [211] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IOE or .IOE2 or .IOE3 or :3IOE;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(Aminosulfonyl)-N-[(4-fluorophenyl)methyl]-benzamide | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-BENZAMIDE | PDB:1I9L | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | Yes | [211] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .INV or .INV2 or .INV3 or :3INV;style chemicals stick;color identity;select .A:57 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU57
3.507
ASN67
4.938
GLU69
3.780
PHE70
2.735
ASP71
4.170
ASP72
2.780
ILE91
3.707
GLN92
3.850
HIS94
2.903
HIS96
2.904
GLU106
4.204
HIS119
3.162
VAL121
3.703
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| Ligand Name: Al-6629, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Methoxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide] | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II COMPLEXED WITH AL-6629 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 2-(3-METHOXYPHENYL)-3-(4-MORPHOLINYL)-, 1,1-DIOXIDE | PDB:1I8Z | ||||
| Method | X-ray diffraction | Resolution | 1.93 Å | Mutation | No | [217] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .INL or .INL2 or .INL3 or :3INL;style chemicals stick;color identity;select .A:62 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASN62
4.152
ASN67
3.028
ILE91
3.330
GLN92
3.149
HIS94
3.187
HIS96
3.253
GLU106
4.165
HIS119
3.286
VAL121
3.752
PHE131
3.077
VAL135
3.781
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| Ligand Name: (S)-N-(3-Indol-1-YL-2-methyl-propyl)-4-sulfamoyl-benzamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide | PDB:1IF8 | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [56] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SBS or .SBS2 or .SBS3 or :3SBS;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-N-(4-Sulfamoylphenyl-ethyl)-2,4,6-trimethylpyridinium | Ligand Info | |||||
| Structure Description | Carbonic anhydrase II in complex with a membrane-impermeant sulfonamide inhibitor | PDB:1ZE8 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [218] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PIU or .PIU2 or .PIU3 or :3PIU;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 3,4-didehydro-N(4)-deethylbrinzolamide | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II COMPLEXED WITH AL-8520 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 4-AMINO-3,4-DIHYDRO-2-(3-METHOXYPROPYL)-, 1,1-DIOXIDE, (R) | PDB:1I90 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [217] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .INM or .INM2 or .INM3 or :3INM;style chemicals stick;color identity;select .A:5 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Al-6619, [2h-Thieno[3,2-E]-1,2-Thiazine-6-Sulfonamide,2-(3-Hydroxyphenyl)-3-(4-Morpholinyl)-, 1,1-Dioxide] | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II COMPLEXED WITH AL-6619 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 2-(3-HYDROXYPHENYL)-3-(4-MORPHOLINYL)-, 1,1-DIOXIDE | PDB:1I91 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [217] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .INQ or .INQ2 or .INQ3 or :3INQ;style chemicals stick;color identity;select .A:62 or .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASN62
4.857
ASN67
3.099
GLU69
4.199
ILE91
4.055
GLN92
3.100
HIS94
2.735
HIS96
3.060
GLU106
4.295
HIS119
3.108
VAL121
3.747
PHE131
3.146
|
|||||
| Ligand Name: 6-Methoxy-1-(4-Sulfamoylbenzoyl)quinolinium | Ligand Info | |||||
| Structure Description | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | PDB:4Z1E | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [219] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG131 KAVQQPDGLA141 VLGIFLKVGS151 AKPGLQKVVD 161 VLDSIKTKGK171 SADFTNFDPR181 GLLPESLDYW191 TYPGSLTTPP201 LLECVTWIVL 211 KEPISVSSEQ221 VLKFRKLNFN231 GEGEPEELMV241 DNWRPAQPLK251 NRQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DF5 or .DF52 or .DF53 or :3DF5;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-Chlorobenzenesulfonamide | Ligand Info | |||||
| Structure Description | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | PDB:2WEH | ||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [220] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FB1 or .FB12 or .FB13 or :3FB1;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4s-trans)-4-(Methylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide | Ligand Info | |||||
| Structure Description | THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS | PDB:1CIN | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [15] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MTS or .MTS2 or .MTS3 or :3MTS;style chemicals stick;color identity;select .A:5 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-{[(4-Amino-3-Chloro-5-Fluorophenyl)sulfonyl]amino}-1,3,4-Thiadiazole-2-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of the human carbonic anhydrase II in complex with the 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide inhibitor | PDB:2HOC | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [50] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1CN or .1CN2 or .1CN3 or :31CN;style chemicals stick;color identity;select .A:19 or .A:20 or .A:21 or .A:22 or .A:23 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:136 or .A:137 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASP19
4.470
PHE20
3.325
PRO21
3.332
ILE22
3.080
ALA23
4.856
ASN67
4.955
GLN92
3.808
HIS94
3.315
HIS96
3.252
GLU106
3.894
HIS119
3.255
VAL121
3.736
PHE131
3.478
VAL135
2.201
|
|||||
| Ligand Name: N-Deethyldorzolamide | Ligand Info | |||||
| Structure Description | THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS | PDB:1CIM | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [15] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTS or .PTS2 or .PTS3 or :3PTS;style chemicals stick;color identity;select .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Thiophene-2,5-disulfonic acid 2-amide-5-(4-methyl-benzylamide) | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II INHIBITOR | PDB:1BN1 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [58] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AL5 or .AL52 or .AL53 or :3AL5;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (9beta,14beta,17beta)-17-Hydroxy-2-Methoxyestra-1,3,5(10)-Trien-3-Yl Sulfamate | Ligand Info | |||||
| Structure Description | Structures of human carbonic anhydrase II inhibitor complexes reveal a second binding site for steroidal and non-steroidal inhibitors. | PDB:2X7U | ||||
| Method | X-ray diffraction | Resolution | 2.12 Å | Mutation | No | [52] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WZA or .WZA2 or .WZA3 or :3WZA;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-[2-formyl-4-(2-methylpropoxy)quinolin-8-yl]acetamide | Ligand Info | |||||
| Structure Description | PROTEIN-AROMATIC FOLDAMER COMPLEX CRYSTAL STRUCTURE | PDB:6Q3O | ||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | No | [221] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QNL or .QNL2 or .QNL3 or :3QNL;style chemicals stick;color identity;select .A:20 or .A:21 or .A:22 or .A:135 or .A:201 or .A:203; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-[[3-[3-[4-[2-(8-amino-2-formylquinolin-4-yl)oxyethyl]triazol-1-yl]propoxy]phenyl]methyl]-4-sulfamoylbenzamide | Ligand Info | |||||
| Structure Description | PROTEIN-AROMATIC FOLDAMER COMPLEX CRYSTAL STRUCTURE | PDB:6Q3O | ||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | No | [221] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QZS or .QZS2 or .QZS3 or :3QZS;style chemicals stick;color identity;select .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:135 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide | Ligand Info | |||||
| Structure Description | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH BRINZOLAMIDE | PDB:1A42 | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [222] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BZU or .BZU2 or .BZU3 or :3BZU;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
3.873
ASN62
4.059
HIS64
3.659
GLN92
2.991
HIS94
3.320
HIS96
3.429
GLU106
3.996
HIS119
3.367
VAL121
3.527
PHE131
2.993
VAL135
3.578
|
|||||
| Ligand Name: 4-Sulfonamide-[4-(thiomethylaminobutane)]benzamide | Ligand Info | |||||
| Structure Description | CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKN INHIBITOR 4-SULFONAMIDE-[1-(4-N-(5-FLUORESCEIN THIOUREA)BUTANE)] | PDB:1OKN | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [223] |
| PDB Sequence |
WGYGKHNGPE
14 HWHKDFPIAK24 GERQSPVDID34 THTAKYDPSL44 KPLSVSYDQA54 TSLRILNNGH 64 AFNVEFDDSQ74 DKAVLKGGPL84 DGTYRLIQFH94 FHWGSLDGQG104 SEHTVDKKKY 114 AAELHLVHWN124 TKYGDFGKAV135 QQPDGLAVLG145 IFLKVGSAKP155 GLQKVVDVLD 165 SIKTKGKSAD175 FTNFDPRGLL185 PESLDYWTYP195 GSLTTPPLLE205 CVTWIVLKEP 215 ISVSSEQVLK225 FRKLNFNGEG235 EPEELMVDNW245 RPAQPLKNRQ255 IKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .STB or .STB2 or .STB3 or :3STB;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-[[4-[Amino(dihydroxy)-lambda4-sulfanyl]phenoxy]methyl]-1-phenyltriazole | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the 4-((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide inhibitor | PDB:5LJT | ||||
| Method | X-ray diffraction | Resolution | 1.00 Å | Mutation | No | [224] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A6N or .A6N2 or .A6N3 or :3A6N;style chemicals stick;color identity;select .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS64
4.846
GLN92
3.223
HIS94
2.266
HIS96
2.306
GLU106
3.196
HIS119
2.504
VAL121
2.368
PHE131
2.637
GLY132
2.564
VAL135
2.986
LEU141
3.902
|
|||||
| Ligand Name: 1-[4-[Amino(dihydroxy)-lambda4-sulfanyl]phenyl]-4-(phenoxymethyl)triazole | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the 4-(4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide inhibitor | PDB:5LJQ | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [224] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ANV or .ANV2 or .ANV3 or :3ANV;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLN92
3.031
HIS94
2.292
HIS96
2.356
GLU106
3.131
HIS119
2.481
VAL121
2.337
PHE131
2.844
GLY132
2.258
VAL135
2.746
LEU141
4.420
VAL143
2.970
|
|||||
| Ligand Name: 4-[4-(Phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | The crystal structure of hCA II in complex with a 4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative. | PDB:6XXT | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [225] |
| PDB Sequence |
GMSHHWGYGK
9 HNGPEHWHKD19 FPIAKGERQS29 PVDIDTHTAK39 YDPSLKPLSV49 SYDQATSLRI 59 LNNGHAFNVE69 FDDSQDKAVL79 KGGPLDGTYR89 LIQFHFHWGS99 LDGQGSEHTV 109 DKKKYAAELH119 LVHWNTKYGD130 FGKAVQQPDG140 LAVLGIFLKV150 GSAKPGLQKV 160 VDVLDSIKTK170 GKSADFTNFD180 PRGLLPESLD190 YWTYPGSLTT200 PPLLECVTWI 210 VLKEPISVSS220 EQVLKFRKLN230 FNGEGEPEEL240 MVDNWRPAQP250 LKNRQIKASF 260
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O42 or .O422 or .O423 or :3O42;style chemicals stick;color identity;select .X:67 or .X:92 or .X:94 or .X:96 or .X:106 or .X:119 or .X:121 or .X:131 or .X:132 or .X:135 or .X:143 or .X:197 or .X:198 or .X:199 or .X:200 or .X:201 or .X:202 or .X:204 or .X:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Inhibitor RA8 | PDB:5NXV | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [63] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9E2 or .9E22 or .9E23 or :39E2;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-chloranyl-~{N}-[(1~{R})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Inhibitor RA12 | PDB:5NY6 | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [63] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9EB or .9EB2 or .9EB3 or :39EB;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
3.876
ASN62
4.061
HIS64
3.854
ASN67
3.740
GLN92
2.943
HIS94
3.232
HIS96
3.361
GLU106
4.292
HIS119
3.271
VAL121
3.881
PHE131
4.117
|
|||||
| Ligand Name: 4-chloranyl-~{N}-[(1~{S})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Inhibitor RA12 | PDB:5NY6 | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [63] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R92 or .R922 or .R923 or :3R92;style chemicals stick;color identity;select .A:155 or .A:156 or .A:158 or .A:159 or .A:162 or .A:183; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-[(4-Nitrophenyl)methyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Inhibitor RA6 | PDB:5NXO | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [63] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9HK or .9HK2 or .9HK3 or :39HK;style chemicals stick;color identity;select .A:3 or .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS3
3.425
HIS4
3.957
TRP5
3.378
GLY6
4.856
HIS10
3.389
ASN11
3.605
GLY12
4.620
HIS15
2.853
TRP16
3.102
HIS17
4.827
LYS18
3.936
ASP19
2.684
PHE20
3.753
GLN92
3.732
HIS94
3.257
HIS96
3.404
|
|||||
| Ligand Name: Triscarbonyl-Cyclopentadienyl-Carboxy-4-Aminomethylbenzene-Sulfonamide Rhenium(I) | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II complexed with its inhibitor rhenium(I)triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide | PDB:3RJ7 | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [226] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RCS or .RCS2 or .RCS3 or :3RCS;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
3.659
TRP5
3.569
GLY6
4.937
HIS10
3.307
ASN11
3.595
GLY12
4.594
HIS15
2.874
TRP16
3.155
HIS17
4.848
LYS18
4.225
ASP19
2.721
PHE20
3.690
GLN92
3.894
HIS94
3.201
HIS96
3.376
GLU106
4.240
|
|||||
| Ligand Name: 1-Benzofuran-2-Sulfonamide | Ligand Info | |||||
| Structure Description | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | PDB:3S71 | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [227] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EVD or .EVD2 or .EVD3 or :3EVD;style chemicals stick;color identity;select .B:4 or .B:5 or .B:6 or .B:10 or .B:11 or .B:12 or .B:15 or .B:16 or .B:17 or .B:18 or .B:19 or .B:20 or .B:92 or .B:94 or .B:96 or .B:106 or .B:119 or .B:121 or .B:131 or .B:143 or .B:197 or .B:198 or .B:199 or .B:200 or .B:201 or .B:202 or .B:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.757
TRP5
3.460
GLY6
4.951
HIS10
3.318
ASN11
3.710
GLY12
4.614
HIS15
2.910
TRP16
3.282
HIS17
4.896
LYS18
3.966
ASP19
2.713
PHE20
3.812
GLN92
3.883
HIS94
3.229
|
|||||
| Ligand Name: 2-[methyl(phenyl)amino]-N-(4-sulfamoylphenyl)acetamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Inhibitor RA7 | PDB:5NXP | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [63] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9DH or .9DH2 or .9DH3 or :39DH;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-methoxy-2-oxidanylidene-~{N}-(4-sulfamoylphenyl)chromene-3-carboxamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Inhibitor RA1 | PDB:5NXM | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [63] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RA5 or .RA52 or .RA53 or :3RA5;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(3,4-Dihydroisoquinolin-2(1h)-Ylcarbonyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | PDB:4Z1J | ||||
| Method | X-ray diffraction | Resolution | 1.27 Å | Mutation | No | [219] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4KC or .4KC2 or .4KC3 or :34KC;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (+)-Rosiglitazone | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with (R)-rosiglitazone | PDB:7M24 | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [228] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RGZ or .RGZ2 or .RGZ3 or :3RGZ;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (5r)-5-(4-{[(2r)-6-Hydroxy-2,5,7,8-Tetramethyl-3,4-Dihydro-2h-Chromen-2-Yl]methoxy}benzyl)-1,3-Thiazolidine-2,4-Dione | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with troglitazone | PDB:7M23 | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [228] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TDZ or .TDZ2 or .TDZ3 or :3TDZ;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (5r)-5-{4-[2-(5-Ethylpyridin-2-Yl)ethoxy]benzyl}-1,3-Thiazolidine-2,4-Dione | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with pioglitazone | PDB:7M26 | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [228] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P1B or .P1B2 or .P1B3 or :3P1B;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Methyl 4-chloranyl-2-(phenylsulfonyl)-5-sulfamoyl-benzoate | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate | PDB:7Q0E | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [87] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .84Z or .84Z2 or .84Z3 or :384Z;style chemicals stick;color identity;select .A:5 or .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:206 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP5
4.318
ASN62
4.998
ASN67
4.743
GLN92
3.635
HIS94
3.235
HIS96
3.293
GLU106
4.185
HIS119
3.324
VAL121
3.791
PHE130
3.122
VAL134
4.475
|
|||||
| Ligand Name: 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II in complex with pyrimidine-based inhibitor | PDB:6VJ3 | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [229] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QYA or .QYA2 or .QYA3 or :3QYA;style chemicals stick;color identity;select .A:62 or .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN62
4.232
ASN67
2.826
GLU69
2.952
ILE91
1.766
GLN92
2.039
HIS94
2.711
HIS96
2.939
GLU106
3.306
HIS119
2.999
VAL121
2.353
PHE131
2.154
|
|||||
| Ligand Name: 1,1-Dihydroxy-1,3-Dihydro-2,1-Benzoxaborol-1-Ium | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH 7.4 | PDB:5JQT | ||||
| Method | X-ray diffraction | Resolution | 1.36 Å | Mutation | No | [61] |
| PDB Sequence |
MSHHWGYGKH
10 NGPEHWHKDF20 PIAKGERQSP30 VDIDTHTAKY40 DPSLKPLSVS50 YDQATSLRIL 60 NNGHAFNVEF70 DDSQDKAVLK80 GGPLDGTYRL90 IQFHFHWGSL100 DGQGSEHTVD 110 KKKYAAELHL120 VHWNTKYGDF131 GKAVQQPDGL141 AVLGIFLKVG151 SAKPGLQKVV 161 DVLDSIKTKG171 KSADFTNFDP181 RGLLPESLDY191 WTYPGSLTTP201 PLLECVTWIV 211 LKEPISVSSE221 QVLKFRKLNF231 NGEGEPEELM241 VDNWRPAQPL251 KNRQIKASFK 261
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6M4 or .6M42 or .6M43 or :36M4;style chemicals stick;color identity;select .A:3 or .A:4 or .A:5 or .A:6 or .A:7 or .A:8 or .A:9 or .A:10 or .A:11 or .A:63 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209 or .A:231 or .A:232 or .A:236 or .A:237 or .A:239; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS3
1.633
HIS4
1.634
TRP5
4.436
GLY6
3.985
TYR7
4.355
GLY8
3.649
LYS9
3.369
HIS10
1.636
ASN11
2.887
GLY63
3.708
HIS64
4.909
GLN92
3.747
HIS94
2.878
HIS96
2.972
GLU106
4.081
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-(4-Chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Inhibitor RA11 | PDB:5NY3 | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [63] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9E8 or .9E82 or .9E83 or :39E8;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-Benzothiophene-2-Sulfonamide | Ligand Info | |||||
| Structure Description | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | PDB:3S74 | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [227] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .03T or .03T2 or .03T3 or :303T;style chemicals stick;color identity;select .B:4 or .B:5 or .B:6 or .B:10 or .B:11 or .B:12 or .B:15 or .B:16 or .B:18 or .B:19 or .B:20 or .B:92 or .B:94 or .B:96 or .B:106 or .B:119 or .B:121 or .B:131 or .B:143 or .B:197 or .B:198 or .B:199 or .B:200 or .B:201 or .B:202 or .B:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.840
TRP5
3.402
GLY6
4.871
HIS10
3.273
ASN11
3.397
GLY12
4.384
HIS15
2.872
TRP16
3.236
LYS18
4.167
ASP19
2.936
PHE20
3.871
GLN92
3.806
HIS94
3.278
|
|||||
| Ligand Name: 4,5,6,7-Tetrafluoro-1,3-Benzothiazole-2-Sulfonamide | Ligand Info | |||||
| Structure Description | The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand | PDB:4KAP | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [230] |
| PDB Sequence |
ANWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1QV or .1QV2 or .1QV3 or :31QV;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(3,4-Dihydroquinolin-1(2h)-Ylcarbonyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | PDB:4Z0Q | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [219] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4K9 or .4K92 or .4K93 or :34K9;style chemicals stick;color identity;select .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[(6,7-Dimethoxy-3,4-Dihydro-1h-Isoquinolin-2-Yl)carbonyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | PDB:4Z1N | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [219] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4KD or .4KD2 or .4KD3 or :34KD;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2'-(Propan-2-Yl)biphenyl-4-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the 4-(2-iso-propylphenyl)benzenesulfonamide inhibitor | PDB:5E2S | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [231] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5CX or .5CX2 or .5CX3 or :35CX;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Furan-2-Sulfonamide | Ligand Info | |||||
| Structure Description | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | PDB:3S75 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [227] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EVG or .EVG2 or .EVG3 or :3EVG;style chemicals stick;color identity;select .B:3 or .B:4 or .B:5 or .B:6 or .B:10 or .B:11 or .B:12 or .B:15 or .B:16 or .B:17 or .B:18 or .B:19 or .B:20 or .B:92 or .B:94 or .B:96 or .B:106 or .B:119 or .B:121 or .B:131 or .B:143 or .B:197 or .B:198 or .B:199 or .B:200 or .B:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS3
4.853
HIS4
3.992
TRP5
3.564
GLY6
4.902
HIS10
3.542
ASN11
3.371
GLY12
4.446
HIS15
2.866
TRP16
3.316
HIS17
4.986
LYS18
4.182
ASP19
2.749
PHE20
4.349
|
|||||
| Ligand Name: 4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | The crystal structure of human carbonic anhydrase II in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide. | PDB:6H34 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [232] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FKK or .FKK2 or .FKK3 or :3FKK;style chemicals stick;color identity;select .A:3 or .A:5 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 1-[7,7-Bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(phenylmethyl)urea | Ligand Info | |||||
| Structure Description | Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-(phenylmethyl)- | PDB:6RVK | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [233] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R29 or .R292 or .R293 or :3R29;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-(4-Oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide. | PDB:6H33 | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [232] |
| PDB Sequence |
GMSHHWGYGK
9 HNGPEHWHKD19 FPIAKGERQS29 PVDIDTHTAK39 YDPSLKPLSV49 SYDQATSLRI 59 LNNGHAFNVE69 FDDSQDKAVL79 KGGPLDGTYR89 LIQFHFHWGS99 LDGQGSEHTV 109 DKKKYAAELH119 LVHWNTKYGD130 FGKAVQQPDG140 LAVLGIFLKV150 GSAKPGLQKV 160 VDVLDSIKTK170 GKSADFTNFD180 PRGLLPESLD190 YWTYPGSLTT200 PPLLECVTWI 210 VLKEPISVSS220 EQVLKFRKLN230 FNGEGEPEEL240 MVDNWRPAQP250 LKNRQIKASF 260
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FKQ or .FKQ2 or .FKQ3 or :3FKQ;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 1h-Benzimidazole-2-sulfonamide | Ligand Info | |||||
| Structure Description | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | PDB:3S72 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [227] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EVE or .EVE2 or .EVE3 or :3EVE;style chemicals stick;color identity;select .B:92 or .B:94 or .B:96 or .B:106 or .B:119 or .B:121 or .B:131 or .B:143 or .B:197 or .B:198 or .B:199 or .B:200 or .B:201 or .B:202 or .B:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1h-Imidazole-2-Sulfonamide | Ligand Info | |||||
| Structure Description | The origin of the hydrophobic effect in the molecular recognition of arylsulfonamides by carbonic anhydrase | PDB:3S76 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [227] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EVH or .EVH2 or .EVH3 or :3EVH;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4'-(4-Aminobenzoyl)biphenyl-4-Sulfonamide | Ligand Info | |||||
| Structure Description | The crystal structure of the human carbonic anhydrase II in complex with a 1,1'-biphenyl-4-sulfonamide inhibitor | PDB:5E2R | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [234] |
| PDB Sequence |
GMSHHWGYGK
9 HNGPEHWHKD19 FPIAKGERQS29 PVDIDTHTAK39 YDPSLKPLSV49 SYDQATSLRI 59 LNNGHAFNVE69 FDDSQDKAVL79 KGGPLDGTYR89 LIQFHFHWGS99 LDGQGSEHTV 109 DKKKYAAELH119 LVHWNTKYGD130 FGKAVQQPDG140 LAVLGIFLKV150 GSAKPGLQKV 160 VDVLDSIKTK170 GKSADFTNFD180 PRGLLPESLD190 YWTYPGSLTT200 PPLLECVTWI 210 VLKEPISVSS220 EQVLKFRKLN230 FNGEGEPEEL240 MVDNWRPAQP250 LKNRQIKASF 260 K
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .520 or .5202 or .5203 or :3520;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:136 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (2r)-2-{[4-(4-Chlorophenyl)-5-Cyano-6-Oxo-1,6-Dihydropyrimidin-2-Yl]sulfanyl}-N-(4-Sulfamoylphenyl)propanamide | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with ligand | PDB:5J8Z | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [235] |
| PDB Sequence |
GMSHHWGYGK
9 HNGPEHWHKD19 FPIAKGERQS29 PVDIDTHTAK39 YDPSLKPLSV49 SYDQATSLRI 59 LNNGHAFNVE69 FDDSQDKAVL79 KGGPLDGTYR89 LIQFHFHWGS99 LDGQGSEHTV 109 DKKKYAAELH119 LVHWNTKYGD130 FGKAVQQPDG140 LAVLGIFLKV150 GSAKPGLQKV 160 VDVLDSIKTK170 GKSADFTNFD180 PRGLLPESLD190 YWTYPGSLTT200 PPLLECVTWI 210 VLKEPISVSS220 EQVLKFRKLN230 FNGEGEPEEL240 MVDNWRPAQP250 LKNRQIKASF 260 K
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FC4 or .FC42 or .FC43 or :3FC4;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2s)-2-{[4-(4-Chlorophenyl)-5-Cyano-6-Oxo-1,6-Dihydropyrimidin-2-Yl]sulfanyl}-N-(4-Sulfamoylphenyl)propanamide | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with ligand | PDB:5J8Z | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [235] |
| PDB Sequence |
GMSHHWGYGK
9 HNGPEHWHKD19 FPIAKGERQS29 PVDIDTHTAK39 YDPSLKPLSV49 SYDQATSLRI 59 LNNGHAFNVE69 FDDSQDKAVL79 KGGPLDGTYR89 LIQFHFHWGS99 LDGQGSEHTV 109 DKKKYAAELH119 LVHWNTKYGD130 FGKAVQQPDG140 LAVLGIFLKV150 GSAKPGLQKV 160 VDVLDSIKTK170 GKSADFTNFD180 PRGLLPESLD190 YWTYPGSLTT200 PPLLECVTWI 210 VLKEPISVSS220 EQVLKFRKLN230 FNGEGEPEEL240 MVDNWRPAQP250 LKNRQIKASF 260 K
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6KE or .6KE2 or .6KE3 or :36KE;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (R)-4-(6,7-Dihydroxy-1-Phenyl-3,4-Tetrahydroisoquinoline-1h-2-Carbonyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. | PDB:5N0D | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [236] |
| PDB Sequence |
GMSHHWGYGK
9 HNGPEHWHKD19 FPIAKGERQS29 PVDIDTHTAK39 YDPSLKPLSV49 SYDQATSLRI 59 LNNGHAFNVE69 FDDSQDKAVL79 KGGPLDGTYR89 LIQFHFHWGS99 LDGQGSEHTV 109 DKKKYAAELH119 LVHWNTKYGD130 FGKAVQQPDG140 LAVLGIFLKV150 GSAKPGLQKV 160 VDVLDSIKTK170 GKSADFTNFD180 PRGLLPESLD190 YWTYPGSLTT200 PPLLECVTWI 210 VLKEPISVSS220 EQVLKFRKLN230 FNGEGEPEEL240 MVDNWRPAQP250 LKNRQIKASF 260
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8F2 or .8F22 or .8F23 or :38F2;style chemicals stick;color identity;select .A:3 or .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS3
4.053
TRP5
3.076
ASN62
4.797
HIS64
3.690
ASN67
4.655
GLN92
2.628
HIS94
3.272
HIS96
3.347
GLU106
4.228
HIS119
3.400
VAL121
3.782
PHE131
3.669
|
|||||
| Ligand Name: 1-[7,7-Bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea | Ligand Info | |||||
| Structure Description | Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-(phenylmethyl)- | PDB:6RW1 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [233] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KL5 or .KL52 or .KL53 or :3KL5;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[7,7-Bis(Oxidanyl)-8-Oxa-7-Boranuidabicyclo[4.3.0]nona-1,3,5-Trien-4-Yl]-3-(2-Methoxy-5-Methyl-Phenyl)urea | Ligand Info | |||||
| Structure Description | The crystal structure of hCA II in complex with a benzoxaborole inhibitor | PDB:5LMD | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [61] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RC4 or .RC42 or .RC43 or :3RC4;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-(1,1-dihydroxy-3H-2,1-benzoxaborol-1-ium-6-yl)-3-phenylthiourea | Ligand Info | |||||
| Structure Description | Crystal structure of hCA II with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-?N'-phenyl- | PDB:6RVL | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | No | [233] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KKE or .KKE2 or .KKE3 or :3KKE;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[[(1~{s})-6,7-Bis(Oxidanyl)-1-Phenyl-3,4-Dihydro-1~{h}-Isoquinolin-2-Yl]carbonyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with (S)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. | PDB:5N0E | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [236] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8F3 or .8F32 or .8F33 or :38F3;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP5
4.480
ASN62
4.704
HIS64
3.276
GLN92
3.811
HIS94
3.264
HIS96
3.382
GLU106
4.025
HIS119
3.384
VAL121
3.917
PHE131
3.496
VAL135
4.079
|
|||||
| Ligand Name: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide | Ligand Info | |||||
| Structure Description | The crystal structure of 2-(4-Benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II | PDB:6ZR8 | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [237] |
| PDB Sequence |
GMSHHWGYGK
9 HNGPEHWHKD19 FPIAKGERQS29 PVDIDTHTAK39 YDPSLKPLSV49 SYDQATSLRI 59 LNNGHAFNVE69 FDDSQDKAVL79 KGGPLDGTYR89 LIQFHFHWGS99 LDGQGSEHTV 109 DKKKYAAELH119 LVHWNTKYGD130 FGKAVQQPDG140 LAVLGIFLKV150 GSAKPGLQKV 160 VDVLDSIKTK170 GKSADFTNFD180 PRGLLPESLD190 YWTYPGSLTT200 PPLLECVTWI 210 VLKEPISVSS220 EQVLKFRKLN230 FNGEGEPEEL240 MVDNWRPAQP250 LKNRQIKASF 260
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QOZ or .QOZ2 or .QOZ3 or :3QOZ;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:136 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 3-Oxo-2,3-Dihydro-1,2-Benzothiazole-6-Sulfonamide 1,1-Dioxide | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with 6-SULFAMOYL-SACCHARIN | PDB:4XE1 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [238] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IL5 or .IL52 or .IL53 or :3IL5;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 1-But-2-Ynoxy-4-[(Sulfamoylamino)methyl]benzene | Ligand Info | |||||
| Structure Description | The crystal structure of the human carbonic anhydrase ii in complex with a sulfamide inhibitor | PDB:4PQ7 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [239] |
| PDB Sequence |
GMSHHWGYGK
9 HNGPEHWHKD19 FPIAKGERQS29 PVDIDTHTAK39 YDPSLKPLSV49 SYDQATSLRI 59 LNNGHAFNVE69 FDDSQDKAVL79 KGGPLDGTYR89 LIQFHFHWGS99 LDGQGSEHTV 109 DKKKYAAELH119 LVHWNTKYGD130 FGKAVQQPDG140 LAVLGIFLKV150 GSAKPGLQKV 160 VDVLDSIKTK170 GKSADFTNFD180 PRGLLPESLD190 YWTYPGSLTT200 PPLLECVTWI 210 VLKEPISVSS220 EQVLKFRKLN230 FNGEGEPEEL240 MVDNWRPAQP250 LKNRQIKASF 260
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IL3 or .IL32 or .IL33 or :3IL3;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.129
TRP5
3.456
HIS10
3.099
ASN11
3.580
GLY12
4.522
HIS15
2.990
TRP16
3.402
LYS18
4.000
ASP19
2.793
PHE20
3.794
GLN92
4.142
HIS94
3.243
HIS96
3.340
GLU106
4.127
|
|||||
| Ligand Name: 4-(4-Phenylpiperidin-1-yl)carbonylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide. | PDB:6H2Z | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [232] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FKE or .FKE2 or .FKE3 or :3FKE;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-(3-(3-Phenoxypropyl)thioureido)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide | PDB:7A6V | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [240] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R2W or .R2W2 or .R2W3 or :3R2W;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-{[(4-Cyanophenyl)(4H-1,2,4-triazol-4-YL)amino]methyl}phenyl sulfamate | Ligand Info | |||||
| Structure Description | Structure of human carbonic anhydrase II with 4-[4-O-sulfamoylbenzyl)(4-cyanophenyl)amino]-4H-[1,2,4]-triazole | PDB:1XPZ | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [208] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4TZ or .4TZ2 or .4TZ3 or :34TZ;style chemicals stick;color identity;select .A:62 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea | Ligand Info | |||||
| Structure Description | Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-phenyl | PDB:6RVF | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [233] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KKH or .KKH2 or .KKH3 or :3KKH;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Inhibitor RA9 | PDB:5NXW | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [63] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RA9 or .RA92 or .RA93 or :3RA9;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
3.235
TRP5
3.426
HIS10
3.610
ASN11
3.452
GLY12
4.490
HIS15
2.841
TRP16
3.354
HIS17
4.940
LYS18
4.035
ASP19
2.727
PHE20
3.816
GLN92
3.643
HIS94
3.251
HIS96
3.357
GLU106
4.221
|
|||||
| Ligand Name: 3,6,7-trimethyl-N-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Inhibitor RA10 | PDB:5NY1 | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [63] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9E5 or .9E52 or .9E53 or :39E5;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB10-596B | PDB:6OTK | ||||
| Method | X-ray diffraction | Resolution | 1.12 Å | Mutation | Yes | [241] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N7S or .N7S2 or .N7S3 or :3N7S;style chemicals stick;color identity;select .A:5 or .A:20 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-(3-Formylphenyl)-Benzenesulfonamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase IX-mimic in complex with 4-(3-formylphenyl)-benzenesulfonamide | PDB:5SZ6 | ||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | Yes | [242] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .72G or .72G2 or .72G3 or :372G;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU91
4.745
GLN92
3.512
HIS94
2.421
HIS96
2.912
GLU106
3.486
HIS119
2.850
VAL121
2.424
VAL131
3.162
GLY132
4.912
VAL135
2.694
LEU141
3.095
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-chloro-4-nitro-N-(4-sulfamoylphenyl)benzamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II Inhibitor RA1 | PDB:5NXG | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [63] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RA1 or .RA12 or .RA13 or :3RA1;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 3-(1-Ethyl-1h-Indol-3-Yl)-1-Methyl-1h-Pyrazole-5-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with a heteroaryl-pyrazole carboxylic acid derivative. | PDB:6B4D | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [243] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .53X or .53X2 or .53X3 or :353X;style chemicals stick;color identity;select .A:4 or .A:5 or .A:64 or .A:92 or .A:94 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:204; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 1-(2-Hydroxyethyl)-3-(4-sulfamoylphenyl)urea | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-694B | PDB:6OUD | ||||
| Method | X-ray diffraction | Resolution | 1.26 Å | Mutation | Yes | [244] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N7M or .N7M2 or .N7M3 or :3N7M;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.567
TRP5
3.317
GLY6
4.852
HIS10
3.871
ASN11
3.322
GLY12
4.331
HIS15
2.842
TRP16
3.296
HIS17
4.923
LYS18
3.890
ASP19
2.694
PHE20
3.638
LEU91
4.660
GLN92
4.109
HIS94
3.142
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-(2-Methylphenyl)-Benzenesulfonamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase IX-mimic in complex with 4-(2-methylphenyl)-benzenesulfonamide | PDB:5SZ5 | ||||
| Method | X-ray diffraction | Resolution | 1.27 Å | Mutation | No | [242] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .72E or .72E2 or .72E3 or :372E;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:206 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU91
4.167
GLN92
3.077
HIS94
2.509
HIS96
2.726
GLU106
3.788
HIS119
2.617
VAL121
2.351
VAL131
2.825
GLY132
4.892
VAL135
2.719
LEU141
2.571
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-[2-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase CAIX mimic in complex with inhibitor JS14 | PDB:6GXE | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [245] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FFH or .FFH2 or .FFH3 or :3FFH;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
2.931
TRP5
3.517
HIS10
3.749
ASN11
3.503
GLY12
4.524
HIS15
2.794
TRP16
3.302
HIS17
4.830
LYS18
3.898
ASP19
2.760
PHE20
3.780
GLN92
3.876
HIS94
3.249
HIS96
3.428
|
|||||
| Ligand Name: 4'-Amino-1,1'-biphenyl-4-sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the 4-(4-aminophenyl)benzenesulfonamide inhibitor | PDB:5E28 | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | No | [231] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BC5 or .BC52 or .BC53 or :3BC5;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase IX-mimic complexed with SB4-206 | PDB:6UGQ | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [246] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q7A or .Q7A2 or .Q7A3 or :3Q7A;style chemicals stick;color identity;select .A:7 or .A:62 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR7
4.666
ASN62
3.890
GLN67
1.826
LEU91
2.271
GLN92
2.167
HIS94
2.816
HIS96
2.457
GLU106
4.459
HIS119
2.821
VAL121
2.527
VAL131
2.443
GLY132
3.769
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-Hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase IX mimic complexed with ureic benzene sulfonamide MB10-586B | PDB:6OTM | ||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | Yes | [247] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N8A or .N8A2 or .N8A3 or :3N8A;style chemicals stick;color identity;select .A:5 or .A:20 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-methyl-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-1,1,3-trione | Ligand Info | |||||
| Structure Description | Carbonic anhydrase 2 in complex with SB4197 | PDB:6U4Q | ||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | No | [246] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PX7 or .PX72 or .PX73 or :3PX7;style chemicals stick;color identity;select .A:7 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 7-Fluoro-2H-benzo[e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase 2 complexed with SB4-208 | PDB:6UGR | ||||
| Method | X-ray diffraction | Resolution | 1.31 Å | Mutation | No | [246] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q71 or .Q712 or .Q713 or :3Q71;style chemicals stick;color identity;select .A:7 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[(6,7-Dihydroxy-3,4-Dihydroisoquinolin-2(1h)-Yl)carbonyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | PDB:4Z1K | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [219] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4KB or .4KB2 or .4KB3 or :34KB;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]acetamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase CAIX mimic in complex with inhibitor JS13 | PDB:6GXB | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [245] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FF5 or .FF52 or .FF53 or :3FF5;style chemicals stick;color identity;select .A:57 or .A:67 or .A:70 or .A:71 or .A:72 or .A:73 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU57
3.473
GLN67
3.582
PHE70
3.333
ASP71
3.509
ASP72
2.872
SER73
3.898
LEU91
3.485
GLN92
2.863
HIS94
3.225
HIS96
3.441
GLU106
4.304
|
|||||
| Ligand Name: 4-{[(4-Hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB11-707A | PDB:6OUF | ||||
| Method | X-ray diffraction | Resolution | 1.36 Å | Mutation | Yes | [248] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N7A or .N7A2 or .N7A3 or :3N7A;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.920
TRP5
3.442
GLY6
4.987
HIS10
3.764
ASN11
3.519
GLY12
4.346
HIS15
2.865
TRP16
3.163
HIS17
4.904
LYS18
3.977
ASP19
2.751
PHE20
3.563
LEU91
4.690
GLN92
4.054
HIS94
3.198
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide | PDB:5WLU | ||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | No | [249] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .42G or .42G2 or .42G3 or :342G;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3'-Aminobiphenyl-4-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the 4-(3-aminophenyl)benzenesulfonamide inhibitor | PDB:5E2K | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [231] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BX4 or .BX42 or .BX43 or :3BX4;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.696
TRP5
3.375
HIS10
3.468
ASN11
3.622
GLY12
4.528
HIS15
2.991
TRP16
3.146
LYS18
4.173
ASP19
2.770
PHE20
3.805
GLN92
4.563
HIS94
3.036
HIS96
3.345
GLU106
4.304
|
|||||
| Ligand Name: 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase 2 complexed with SB4-205 | PDB:6UGN | ||||
| Method | X-ray diffraction | Resolution | 1.41 Å | Mutation | No | [246] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q77 or .Q772 or .Q773 or :3Q77;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:127 or .A:128 or .A:131 or .A:133 or .A:135 or .A:137 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:206 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP5
4.967
TYR7
4.580
ASN62
4.915
GLN92
4.471
HIS94
2.717
HIS96
2.244
GLU106
4.533
HIS119
3.008
VAL121
2.397
LYS127
2.264
TYR128
2.392
PHE131
2.099
LYS133
1.906
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase IX-mimic Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide | PDB:7SUY | ||||
| Method | X-ray diffraction | Resolution | 1.41 Å | Mutation | Yes | [250] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C97 or .C972 or .C973 or :3C97;style chemicals stick;color identity;select .A:64 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS64
4.647
LEU91
4.065
GLN92
3.138
HIS94
2.639
HIS96
2.797
GLU106
3.440
HIS119
2.834
VAL121
2.382
VAL131
3.730
GLY132
4.226
VAL135
2.439
|
|||||
| Ligand Name: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines | PDB:6NM0 | ||||
| Method | X-ray diffraction | Resolution | 1.44 Å | Mutation | No | [251] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KRY or .KRY2 or .KRY3 or :3KRY;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-{[(4-Hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II mimic complexed with benzene sulfonamide MB11-710A | PDB:6OUH | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [252] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N7D or .N7D2 or .N7D3 or :3N7D;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:62 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.385
TRP5
3.256
GLY6
4.786
HIS10
3.633
ASN11
3.267
GLY12
4.213
HIS15
2.776
TRP16
3.017
HIS17
4.835
LYS18
3.887
ASP19
2.776
PHE20
3.825
ASN62
3.833
HIS64
2.669
GLN92
4.007
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Acesulfame | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II complexed with AceK | PDB:5WG7 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [253] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AUD or .AUD2 or .AUD3 or :3AUD;style chemicals stick;color identity;select .A:6 or .A:7 or .A:8 or .A:9 or .A:11 or .A:92 or .A:94 or .A:102 or .A:103 or .A:110 or .A:111 or .A:112 or .A:113 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:161 or .A:164 or .A:165 or .A:167 or .A:168 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209 or .A:225 or .A:226 or .A:228 or .A:229 or .A:230 or .A:231 or .A:239 or .A:240 or .A:242; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY6
3.366
TYR7
2.798
GLY8
2.769
LYS9
4.359
ASN11
3.537
GLN92
2.955
HIS94
3.425
GLY102
3.506
GLN103
4.969
ASP110
4.143
LYS111
2.879
LYS112
3.547
LYS113
2.553
HIS119
3.596
VAL121
3.238
PHE131
2.937
VAL135
4.144
LEU141
3.923
VAL143
3.409
VAL161
4.709
LEU164
2.770
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-1,3-benzoxazole-5-sulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II complexed with benzene sulfonamide MB11-689A | PDB:6OUJ | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [254] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N7V or .N7V2 or .N7V3 or :3N7V;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide | PDB:5WLR | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | No | [255] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .86B or .86B2 or .86B3 or :386B;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
3.967
TRP5
3.456
HIS10
3.502
ASN11
3.649
GLY12
4.605
HIS15
2.875
TRP16
3.314
LYS18
4.010
ASP19
2.709
PHE20
3.865
GLN92
3.889
HIS94
3.254
HIS96
3.324
GLU106
4.103
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II complexed with benzene sulfonamide MB10-580B | PDB:6OUK | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [256] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N7J or .N7J2 or .N7J3 or :3N7J;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.986
TRP5
3.425
GLY6
4.834
HIS10
3.297
ASN11
3.177
GLY12
4.271
HIS15
2.838
TRP16
3.126
HIS17
4.886
LYS18
4.029
ASP19
3.134
PHE20
3.908
GLN92
4.075
HIS94
3.275
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (6r)-5-O-Acetyl-2,6-Anhydro-6-{[4-(Sulfamoyloxy)piperidin-1-Yl]sulfonyl}-L-Glucitol | Ligand Info | |||||
| Structure Description | Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor | PDB:4ZX1 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [257] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKQ 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5L3 or .5L32 or .5L33 or :35L3;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASN62
3.852
HIS64
3.132
GLN67
3.061
LEU91
3.563
GLN92
3.039
HIS94
3.204
HIS96
3.328
GLU106
4.160
HIS119
3.378
VAL121
3.951
VAL131
4.069
|
|||||
| Ligand Name: (E)-2-(5-Bromo-2-Hydroxyphenyl)ethenesulfonic Acid | Ligand Info | |||||
| Structure Description | Carbonic anhydrase IX mimic in complex with (E)-2-(5-bromo-2- hydroxyphenyl)ethenesulfonic acid | PDB:4BCW | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [258] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TU0 or .TU02 or .TU03 or :3TU0;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{([(3,5-Dimethylphenyl)Amino]Carbonylamino)}Benzenesulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase IX-mimic In Complex WITH U-CH3 | PDB:6UZU | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [259] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6LU or .6LU2 or .6LU3 or :36LU;style chemicals stick;color identity;select .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid | Ligand Info | |||||
| Structure Description | THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH A SACCHARINE DERIVATIVE | PDB:5CLU | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [260] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .S8A or .S8A2 or .S8A3 or :3S8A;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-({[(4-Fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-fluorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor | PDB:4KUW | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [261] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MB2 or .MB22 or .MB23 or :3MB2;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-({[(4-Methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the 5-(3-tosylureido)pyridine-2-sulfonamide inhibitor | PDB:4KV0 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [262] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MB7 or .MB72 or .MB73 or :3MB7;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (6r)-1-O-Acetyl-2,6-Anhydro-6-{[4-(Sulfamoyloxy)piperidin-1-Yl]sulfonyl}-L-Glucitol | Ligand Info | |||||
| Structure Description | Surface Lysine Acetylated Human Carbonic Anhydrase II in Complex with a Sulfamate-Based Inhibitor | PDB:4ZWI | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [263] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKY 114 AAELHLVHWN124 TKYGDFGKAV135 QQPDGLAVLG145 IFLKVGSAKP155 GLQKVVDVLD 165 SIKTKGKSAD175 FTNFDPRGLL185 PESLDYWTYP195 GSLTTPPLLE205 CVTWIVLKEP 215 ISVSSEQVLK225 FRKLNFNGEG235 EPEELMVDNW245 RPAQPLKNRQ255 IKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .62I or .62I2 or .62I3 or :362I;style chemicals stick;color identity;select .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[2-(1H-Imidazole-5-yl)ethyl]-2,6-diisopropyl-4-methylpyridinium | Ligand Info | |||||
| Structure Description | Carbonic anhydrase II in complex with activating histamine pyridinium derivative | PDB:5W8B | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [264] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A57 or .A572 or .A573 or :3A57;style chemicals stick;color identity;select .A:5 or .A:67 or .A:91 or .A:92 or .A:94 or .A:121 or .A:131 or .A:132 or .A:135 or .A:198 or .A:200 or .A:201 or .A:202 or .A:203 or .A:204; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(4-Sulfamoylphenyl)-2-[(3s,5s,7s)-Tricyclo[3.3.1.1~3,7~]dec-1-Yl]acetamide | Ligand Info | |||||
| Structure Description | Structure of human carbonic anhydrase II in complex with an adamantyl sulfonamide inhibitor | PDB:4ILX | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [265] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1EZ or .1EZ2 or .1EZ3 or :31EZ;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(5-Sulfamoyl-1,3,4-Thiadiazol-2-Yl)-2-(Thiophen-2-Yl)acetamide | Ligand Info | |||||
| Structure Description | structure of hCAII in complex with an acetazolamide derivative | PDB:4IWZ | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [266] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1GO or .1GO2 or .1GO3 or :31GO;style chemicals stick;color identity;select .A:67 or .A:69 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N6-Acetyl-L-lysine | Ligand Info | |||||
| Structure Description | Surface Lysine Acetylated Human Carbonic Anhydrase II in Complex with a Sulfamate-Based Inhibitor | PDB:4ZWI | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [263] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKY 114 AAELHLVHWN124 TKYGDFGKAV135 QQPDGLAVLG145 IFLKVGSAKP155 GLQKVVDVLD 165 SIKTKGKSAD175 FTNFDPRGLL185 PESLDYWTYP195 GSLTTPPLLE205 CVTWIVLKEP 215 ISVSSEQVLK225 FRKLNFNGEG235 EPEELMVDNW245 RPAQPLKNRQ255 IKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ALY or .ALY2 or .ALY3 or :3ALY;style chemicals stick;color identity;select .A:32 or .A:105 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:113 or .A:114 or .A:115 or .A:149; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Rrolidine-2-carboxylate (non-preferred name) | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor | PDB:4ZX0 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [257] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5L2 or .5L22 or .5L23 or :35L2;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
3.793
ASN62
2.952
HIS64
3.481
ALA65
3.953
ASN67
4.031
ILE91
3.801
GLN92
3.666
HIS94
3.278
HIS96
3.406
GLU106
3.997
HIS119
3.425
|
|||||
| Ligand Name: [(13S,14S,17S)-2-methoxy-13-methyl-3-sulfamoyloxy-14,15,16,17-tetrahydrocyclopenta[a]phenanthren-17-yl] sulfamate | Ligand Info | |||||
| Structure Description | CA IX mimic Complexed with Steroidal Sulfamate Compound STX 140 | PDB:6E8X | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [267] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J0A or .J0A2 or .J0A3 or :3J0A;style chemicals stick;color identity;select .A:64 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: [1,1'-Biphenyl]-4-sulfonamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase IX-mimic in complex with 4-(phenyl)-benzenesulfonamide | PDB:5SZ4 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [242] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .72D or .72D2 or .72D3 or :372D;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-(6-amino-9H-purin-9-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase IX-mimic in complex with nitrogenous base-bearing benezenesulfonamide | PDB:6B5A | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | No | [268] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CQS or .CQS2 or .CQS3 or :3CQS;style chemicals stick;color identity;select .A:67 or .A:69 or .A:72 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLN67
3.691
THR69
3.344
ASP72
4.749
LEU91
2.724
GLN92
3.162
HIS94
2.750
HIS96
2.663
GLU106
3.985
HIS119
3.035
VAL121
2.494
VAL131
2.571
GLY132
4.320
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Methyl (2s,4r)-1-[(2s,3r,4r,5s,6s)-6-(Hydroxymethyl)-3,4,5-Tris(Oxidanyl)oxan-2-Yl]sulfonyl-4-Sulfamoyloxy-Pyrrolidine-2-Carboxylate | Ligand Info | |||||
| Structure Description | Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor | PDB:4ZWZ | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | Yes | [257] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .510 or .5102 or .5103 or :3510;style chemicals stick;color identity;select .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASN62
3.572
HIS64
3.197
SER65
4.554
GLN67
3.917
LEU91
3.421
GLN92
2.803
HIS94
3.162
HIS96
3.370
GLU106
4.174
HIS119
3.536
VAL121
3.400
|
|||||
| Ligand Name: 4-Hydroxy-3-nitro-5-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | PDB:6EEA | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | Yes | [269] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J3V or .J3V2 or .J3V3 or :3J3V;style chemicals stick;color identity;select .A:20 or .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:95 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE20
4.125
ASN62
2.977
HIS64
2.832
SER65
3.352
GLN67
2.822
LEU91
3.259
GLN92
2.575
HIS94
3.090
PHE95
4.794
HIS96
3.206
GLU106
4.009
HIS119
3.425
VAL121
3.522
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-({[(2-Methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(o-tolylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor | PDB:4KUY | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [270] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MB4 or .MB42 or .MB43 or :3MB4;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(3-Quinolinyl)-Benzenesulfonamide | Ligand Info | |||||
| Structure Description | Carbonic anhydrase II in complex with 4-(3-quinolinyl)-benzenesulfonamide | PDB:5SZ3 | ||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [242] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .72H or .72H2 or .72H3 or :372H;style chemicals stick;color identity;select .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (1s)-2,3,4,6-Tetra-O-Acetyl-1,5-Anhydro-1-{[5-(Sulfamoyloxy)pentyl]sulfamoyl}-D-Allitol | Ligand Info | |||||
| Structure Description | Engineered Carbonic Anhydrase IX mimic in complex with glucosyl sulfamate inhibitor | PDB:4ZWX | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [257] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5KZ or .5KZ2 or .5KZ3 or :35KZ;style chemicals stick;color identity;select .A:5 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(2-Fluoro-4-Sulfamoylphenyl)-2-(Thiophen-2-Yl)acetamide | Ligand Info | |||||
| Structure Description | hCarbonic anhydrase II bound to N-(2-fluoro.4-sulfamoylphenyl)-2-(thiophen-2-yl) acetamide | PDB:3R17 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [64] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5UM or .5UM2 or .5UM3 or :35UM;style chemicals stick;color identity;select .B:92 or .B:94 or .B:96 or .B:106 or .B:119 or .B:121 or .B:131 or .B:135 or .B:141 or .B:143 or .B:197 or .B:198 or .B:199 or .B:200 or .B:201 or .B:202 or .B:204 or .B:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-{[(4-Fluoro-3-methylphenyl)carbamoyl]amino}-4-hydroxy-5-nitrobenzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | PDB:6EEO | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | Yes | [269] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J6V or .J6V2 or .J6V3 or :3J6V;style chemicals stick;color identity;select .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR7
4.941
ASN62
2.821
HIS64
3.545
SER65
3.794
GLN67
3.733
LEU91
4.677
GLN92
3.514
HIS94
3.105
HIS96
3.220
GLU106
3.839
HIS119
3.332
VAL121
3.936
|
|||||
| Ligand Name: 6-(Sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium | Ligand Info | |||||
| Structure Description | CA IX mimic Complexed with Steroidal Sulfamate Compound STX 2845 | PDB:6E92 | ||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | Yes | [267] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HZY or .HZY2 or .HZY3 or :3HZY;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (4-Aminosulfonylphenyl)boronic acid | Ligand Info | |||||
| Structure Description | carbonic anhydrase with bound arylsulfonamide- boronic acid | PDB:6XVH | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [271] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O3B or .O3B2 or .O3B3 or :3O3B;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 7-Methoxy-6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium | Ligand Info | |||||
| Structure Description | CA IX mimic Complexed with Steroidal Sulfamate Compound STX 2484 | PDB:6E91 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [267] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J04 or .J042 or .J043 or :3J04;style chemicals stick;color identity;select .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ASN62
3.914
HIS64
3.760
SER65
4.763
GLN67
3.940
LEU91
3.938
GLN92
3.601
HIS94
3.171
HIS96
3.334
GLU106
3.816
HIS119
3.255
VAL121
3.550
|
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| Ligand Name: [(13S,14R,17S)-13-methyl-3-sulfamoyloxy-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-17-yl] sulfamate | Ligand Info | |||||
| Structure Description | CA IX mimic Complexed with Steroidal Sulfamate Compound STX 49 | PDB:6E8P | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [267] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HZJ or .HZJ2 or .HZJ3 or :3HZJ;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-(3-Iodanylphenyl)-3-(4-Sulfamoylphenyl)thiourea | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II in complex with Sulfonamide Inhibitor | PDB:5EIJ | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [272] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5OT or .5OT2 or .5OT3 or :35OT;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-({[(4-Chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-Sulfonamide | Ligand Info | |||||
| Structure Description | Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-chlorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor | PDB:4KUV | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [273] |
| PDB Sequence |
WGYGKHNGPE
14 HWHKDFPIAK24 GERQSPVDID34 THTAKYDPSL44 KPLSVSYDQA54 TSLRILNNGH 64 AFNVEFDDSQ74 DKAVLKGGPL84 DGTYRLIQFH94 FHWGSLDGQG104 SEHTVDKKKY 114 AAELHLVHWN124 TKYGDFGKAV135 QQPDGLAVLG145 IFLKVGSAKP155 GLQKVVDVLD 165 SIKTKGKSAD175 FTNFDPRGLL185 PESLDYWTYP195 GSLTTPPLLE205 CVTWIVLKEP 215 ISVSSEQVLK225 FRKLNFNGEG235 EPEELMVDNW245 RPAQPLKNRQ255 IKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MB6 or .MB62 or .MB63 or :3MB6;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 4-cyanobenzenesulfonamide | PDB:6ROB | ||||
| Method | X-ray diffraction | Resolution | 0.93 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:159 or .A:163 or .A:175 or .A:176 or .A:177 or .A:178 or .A:179; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-Cyanobenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 4-cyanobenzenesulfonamide | PDB:6ROB | ||||
| Method | X-ray diffraction | Resolution | 0.93 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KBZ or .KBZ2 or .KBZ3 or :3KBZ;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
3.552
TRP5
2.661
GLY6
4.441
HIS10
3.765
ASN11
3.250
GLY12
4.418
HIS15
2.931
TRP16
2.425
LYS18
3.415
ASP19
2.746
PHE20
2.968
GLN92
3.656
HIS94
2.634
HIS96
3.336
|
|||||
| Ligand Name: 4-Hexylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 4-hexylbenzenesulfonamide | PDB:6SBL | ||||
| Method | X-ray diffraction | Resolution | 0.94 Å | Mutation | No | [274] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L4Q or .L4Q2 or .L4Q3 or :3L4Q;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (S)-Tetrahydro-1H-oxazolo[3,4-a]pyrazin-3(5H)-one | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fragment. | PDB:6SAY | ||||
| Method | X-ray diffraction | Resolution | 0.95 Å | Mutation | No | [24] |
| PDB Sequence |
SPEFMSHHWG
6 YGKHNGPEHW16 HKDFPIAKGE26 RQSPVDIDTH36 TAKYDPSLKP46 LSVSYDQATS 56 LRILNNGHAF66 NVEFDDSQDK76 AVLKGGPLDG86 TYRLIQFHFH96 WGSLDGQGSE 106 HTVDKKKYAA116 ELHLVHWNTK127 YGDFGKAVQQ137 PDGLAVLGIF147 LKVGSAKPGL 157 QKVVDVLDSI167 KTKGKSADFT177 NFDPRGLLPE187 SLDYWTYPGS197 LTTPPLLECV 207 TWIVLKEPIS217 VSSEQVLKFR227 KLNFNGEGEP237 EELMVDNWRP247 AQPLKNRQIK 257 ASFK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L3Q or .L3Q2 or .L3Q3 or :3L3Q;style chemicals stick;color identity;select .A:35 or .A:36 or .A:38 or .A:39 or .A:40 or .A:192 or .A:213 or .A:258 or .A:260 or .A:261; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-Fluorobenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | PDB:6RQI | ||||
| Method | X-ray diffraction | Resolution | 0.95 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FBW or .FBW2 or .FBW3 or :3FBW;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-[3,4-Bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine | Ligand Info | |||||
| Structure Description | Expression tag modified N-terminus of human Carbonic Anhydrase II covalently linked to fragment | PDB:6S9Z | ||||
| Method | X-ray diffraction | Resolution | 0.95 Å | Mutation | No | [24] |
| PDB Sequence |
GSPEFMSHHW
5 GYGKHNGPEH15 WHKDFPIAKG25 ERQSPVDIDT35 HTAKYDPSLK45 PLSVSYDQAT 55 SLRILNNGHA65 FNVEFDDSQD75 KAVLKGGPLD85 GTYRLIQFHF95 HWGSLDGQGS 105 EHTVDKKKYA115 AELHLVHWNT125 KYGDFGKAVQ136 QPDGLAVLGI146 FLKVGSAKPG 156 LQKVVDVLDS166 IKTKGKSADF176 TNFDPRGLLP186 ESLDYWTYPG196 SLTTPPLLEC 206 VTWIVLKEPI216 SVSSEQVLKF226 RKLNFNGEGE236 PEELMVDNWR246 PAQPLKNRQI 256 KASFK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L2K or .L2K2 or .L2K3 or :3L2K;style chemicals stick;color identity;select .A:-4 or .A:0 or .A:1; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-(Pentyloxy)benzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 4-(pentyloxy)benzenesulfonamide | PDB:6SBM | ||||
| Method | X-ray diffraction | Resolution | 0.95 Å | Mutation | No | [275] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L4W or .L4W2 or .L4W3 or :3L4W;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS4
3.333
TRP5
2.620
GLY6
4.449
HIS10
3.885
ASN11
3.279
GLY12
4.512
HIS15
2.986
TRP16
2.490
LYS18
3.252
ASP19
2.707
PHE20
3.020
GLN92
3.578
HIS94
2.642
HIS96
3.339
GLU106
4.225
|
|||||
| Ligand Name: 4-Pentylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 4-pentylbenzenesulfonamide. | PDB:6SBH | ||||
| Method | X-ray diffraction | Resolution | 0.95 Å | Mutation | No | [276] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L4K or .L4K2 or .L4K3 or :3L4K;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 4-(Furan-2-ylmethylamino)-3-nitro-benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with furan-containing benzenesulfonamide | PDB:6SG6 | ||||
| Method | X-ray diffraction | Resolution | 0.98 Å | Mutation | No | [277] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LC8 or .LC82 or .LC83 or :3LC8;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: (5R)-5-phenyl-1,3-oxazolidine-2,4-dione | Ligand Info | |||||
| Structure Description | Atomic resolution structure of human Carbonic Anhydrase II in complex with (R)-5-phenyloxazolidine-2,4-dione | PDB:6SFQ | ||||
| Method | X-ray diffraction | Resolution | 1.00 Å | Mutation | No | [278] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7Q1 or .7Q12 or .7Q13 or :37Q1;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-Hydroxybenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 4-Hydroxybenzenesulfonamide | PDB:6RIG | ||||
| Method | X-ray diffraction | Resolution | 1.00 Å | Mutation | No | [279] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K4N or .K4N2 or .K4N3 or :3K4N;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:158 or .A:159 or .A:162 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.841
TRP5
2.620
GLY6
4.408
HIS10
3.604
ASN11
3.265
GLY12
4.549
HIS15
2.993
TRP16
2.356
HIS17
4.966
LYS18
3.352
ASP19
2.734
PHE20
2.941
GLN92
3.519
HIS94
2.720
HIS96
3.358
GLU106
4.257
|
|||||
| Ligand Name: 2-Fluorobenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 2-Fluorobenzenesulfonamide | PDB:6RIT | ||||
| Method | X-ray diffraction | Resolution | 1.01 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FBV or .FBV2 or .FBV3 or :3FBV;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.486
TRP5
2.788
GLY6
4.341
HIS10
3.710
ASN11
3.211
GLY12
4.581
HIS15
2.293
TRP16
2.553
LYS18
3.092
ASP19
2.751
PHE20
3.123
GLN92
3.598
HIS94
2.638
HIS96
3.337
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (1,3-Dimethyl-1H-pyrazol-5-yl)methanamine | Ligand Info | |||||
| Structure Description | N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment | PDB:6SAC | ||||
| Method | X-ray diffraction | Resolution | 1.02 Å | Mutation | No | [24] |
| PDB Sequence |
GSPEFMSHHW
5 GYGKHNGPEH15 WHKDFPIAKG25 ERQSPVDIDT35 HTAKYDPSLK45 PLSVSYDQAT 55 SLRILNNGHA65 FNVEFDDSQD75 KAVLKGGPLD85 GTYRLIQFHF95 HWGSLDGQGS 105 EHTVDKKKYA115 AELHLVHWNT125 KYGDFGKAVQ136 QPDGLAVLGI146 FLKVGSAKPG 156 LQKVVDVLDS166 IKTKGKSADF176 TNFDPRGLLP186 ESLDYWTYPG196 SLTTPPLLEC 206 VTWIVLKEPI216 SVSSEQVLKF226 RKLNFNGEGE236 PEELMVDNWR246 PAQPLKNRQI 256 KASFK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .47J or .47J2 or .47J3 or :347J;style chemicals stick;color identity;select .A:-4 or .A:-3 or .A:0; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (R)-(-)-1-Amino-2-propanol | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with (R)-1-aminopropan-2-ol | PDB:6SDJ | ||||
| Method | X-ray diffraction | Resolution | 1.02 Å | Mutation | No | [24] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J3K or .J3K2 or .J3K3 or :3J3K;style chemicals stick;color identity;select .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Propylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 4-Propylbenzenesulfonamide | PDB:6HR3 | ||||
| Method | X-ray diffraction | Resolution | 1.02 Å | Mutation | No | [276] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4JE or .4JE2 or .4JE3 or :34JE;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-Butylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with aliphatic Benzenesulfonamide inhibitor. | PDB:5LL8 | ||||
| Method | X-ray diffraction | Resolution | 1.03 Å | Mutation | No | [280] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6YP or .6YP2 or .6YP3 or :36YP;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[(2e)-3,4-Dihydroquinazolin-2(1h)-Ylidene]sulfuric Diamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 0.01 mM | PDB:6SDI | ||||
| Method | X-ray diffraction | Resolution | 1.03 Å | Mutation | No | [281] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0VV or .0VV2 or .0VV3 or :30VV;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-Methoxybenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 4-Methoxybenzenesulfonamide | PDB:6I0W | ||||
| Method | X-ray diffraction | Resolution | 1.04 Å | Mutation | No | [276] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M4S or .M4S2 or .M4S3 or :3M4S;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.510
TRP5
2.628
GLY6
4.439
HIS10
3.729
ASN11
3.386
GLY12
4.535
HIS15
2.991
TRP16
2.415
HIS17
4.950
LYS18
3.278
ASP19
2.686
PHE20
3.033
GLN92
3.611
HIS94
2.704
|
|||||
| Ligand Name: N(sup 4)-Furfurylsulfanilamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with a furan-containing benzenesulfonamide | PDB:6SFU | ||||
| Method | X-ray diffraction | Resolution | 1.04 Å | Mutation | No | [282] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LBQ or .LBQ2 or .LBQ3 or :3LBQ;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.510
TRP5
2.706
GLY6
4.430
HIS10
3.549
ASN11
3.155
GLY12
4.613
HIS15
2.939
TRP16
2.439
HIS17
4.970
LYS18
3.260
ASP19
2.805
PHE20
2.929
GLN92
3.423
HIS94
2.664
HIS96
3.335
GLU106
4.232
|
|||||
| Ligand Name: 2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide and its dimer | PDB:6SD7 | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SXG or .SXG2 or .SXG3 or :3SXG;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Pentafluorobenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide and its dimer | PDB:6SD7 | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L7T or .L7T2 or .L7T3 or :3L7T;style chemicals stick;color identity;select .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,3-Difluorobenzene-1-sulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | PDB:6RJJ | ||||
| Method | X-ray diffraction | Resolution | 1.06 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K5W or .K5W2 or .K5W3 or :3K5W;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.439
TRP5
2.782
GLY6
4.406
HIS10
3.604
ASN11
3.385
GLY12
4.530
HIS15
2.438
TRP16
2.509
LYS18
3.055
ASP19
2.711
PHE20
3.059
GLN92
3.569
HIS94
2.714
HIS96
3.390
|
|||||
| Ligand Name: 2,3,5,6-Tetrakis(fluoranyl)-4-methyl-benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | PDB:6RS5 | ||||
| Method | X-ray diffraction | Resolution | 1.07 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KGK or .KGK2 or .KGK3 or :3KGK;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
2.901
TRP5
2.798
GLY6
4.495
HIS10
3.517
ASN11
3.437
GLY12
4.444
HIS15
2.337
TRP16
2.395
LYS18
2.996
ASP19
2.706
PHE20
3.006
ASN62
4.709
ASN67
4.887
GLN92
3.629
HIS94
2.744
|
|||||
| Ligand Name: 2,5-Difluorobenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | PDB:6RNP | ||||
| Method | X-ray diffraction | Resolution | 1.07 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KBB or .KBB2 or .KBB3 or :3KBB;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.055
TRP5
2.751
GLY6
4.343
HIS10
3.919
ASN11
3.381
GLY12
4.491
HIS15
2.235
TRP16
2.472
LYS18
2.797
ASP19
2.760
PHE20
3.102
GLN92
3.011
HIS94
2.596
HIS96
3.330
|
|||||
| Ligand Name: 4-Butoxybenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 4-Butylbenzenesulfonamide | PDB:6I3E | ||||
| Method | X-ray diffraction | Resolution | 1.07 Å | Mutation | No | [276] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H1Z or .H1Z2 or .H1Z3 or :3H1Z;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.766
TRP5
2.771
GLY6
4.537
HIS10
2.964
ASN11
2.896
GLY12
4.515
HIS15
2.931
TRP16
2.454
LYS18
3.194
ASP19
2.686
PHE20
3.007
GLN92
3.739
HIS94
2.622
HIS96
3.353
GLU106
4.227
|
|||||
| Ligand Name: (R)-N-(3-Indol-1-YL-2-methyl-propyl)-4-sulfamoyl-benzamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with (R)-N-(3-(1H-indol-1-yl)-2-methylpropyl)-4-sulfamoylbenzamide | PDB:6SDL | ||||
| Method | X-ray diffraction | Resolution | 1.08 Å | Mutation | No | [283] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SBR or .SBR2 or .SBR3 or :3SBR;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-Ethoxybenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with 4-Ethoxybenzenesulfonamide | PDB:6I1U | ||||
| Method | X-ray diffraction | Resolution | 1.08 Å | Mutation | No | [276] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3W8 or .3W82 or .3W83 or :33W8;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.453
TRP5
2.595
GLY6
4.477
HIS10
3.994
ASN11
3.401
GLY12
4.418
HIS15
2.918
TRP16
2.482
HIS17
4.995
LYS18
3.250
ASP19
2.805
PHE20
3.122
GLN92
3.684
HIS94
2.670
HIS96
3.345
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-Ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | PDB:6RSZ | ||||
| Method | X-ray diffraction | Resolution | 1.09 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KJ5 or .KJ52 or .KJ53 or :3KJ5;style chemicals stick;color identity;select .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Chlorothiophene-2-sulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fragment. | PDB:6SB7 | ||||
| Method | X-ray diffraction | Resolution | 1.09 Å | Mutation | No | [24] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8K2 or .8K22 or .8K23 or :38K2;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,3,5,6-Tetrafluorobenzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | PDB:6RRI | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KFH or .KFH2 or .KFH3 or :3KFH;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
2.730
TRP5
2.735
GLY6
4.427
HIS10
3.377
ASN11
3.372
GLY12
4.509
HIS15
2.293
TRP16
2.472
LYS18
2.953
ASP19
2.699
PHE20
3.029
ASN62
4.606
ASN67
4.916
GLN92
3.606
|
|||||
| Ligand Name: N-[3-(aminomethyl)phenyl]acetamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fragment. | PDB:6SAS | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [24] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .463 or .4632 or .4633 or :3463;style chemicals stick;color identity;select .A:57 or .A:58 or .A:67 or .A:69 or .A:70 or .A:71 or .A:72 or .A:91 or .A:92 or .A:123 or .A:130 or .A:131; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,3,5,6-Tetrakis(fluoranyl)-4-propyl-benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | PDB:6S9G | ||||
| Method | X-ray diffraction | Resolution | 1.14 Å | Mutation | No | [23] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L1Q or .L1Q2 or .L1Q3 or :3L1Q;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:62 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
2.452
TRP5
2.735
GLY6
4.445
HIS10
3.400
ASN11
3.372
GLY12
4.487
HIS15
2.412
TRP16
2.448
LYS18
3.077
ASP19
2.740
PHE20
3.109
ASN62
4.724
GLN92
3.537
HIS94
2.730
HIS96
3.350
|
|||||
| Ligand Name: Piperidine-1-sulfonamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II in complex with novel sulfonamide inhibitor | PDB:3M2Y | ||||
| Method | X-ray diffraction | Resolution | 1.17 Å | Mutation | No | [284] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASF |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BE0 or .BE02 or .BE03 or :3BE0;style chemicals stick;color identity;select .A:3 or .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS3
3.484
HIS4
4.017
TRP5
3.600
HIS10
3.544
ASN11
3.763
GLY12
4.626
HIS15
2.950
TRP16
3.251
LYS18
4.070
ASP19
2.719
PHE20
3.668
GLN92
4.029
HIS94
3.181
|
|||||
| Ligand Name: 3-(Dimethylamino)benzohydrazide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fragment. | PDB:6RMP | ||||
| Method | X-ray diffraction | Resolution | 1.22 Å | Mutation | No | [24] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHAFNVEFD71 DSQDKAVLKG81 GPLDGTYRLI91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDFG132 KAVQQPDGLA142 VLGIFLKVGS152 AKPGLQKVVD 162 VLDSIKTKGK172 SADFTNFDPR182 GLLPESLDYW192 TYPGSLTTPP202 LLECVTWIVL 212 KEPISVSSEQ222 VLKFRKLNFN232 GEGEPEELMV242 DNWRPAQPLK252 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .47S or .47S2 or .47S3 or :347S;style chemicals stick;color identity;select .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(4-Hydroxybutyl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with aliphatically substituted benzenesulfonamide | PDB:6SEY | ||||
| Method | X-ray diffraction | Resolution | 1.23 Å | Mutation | No | [285] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L9B or .L9B2 or .L9B3 or :3L9B;style chemicals stick;color identity;select .A:4 or .A:5 or .A:6 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:204 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS4
3.593
TRP5
2.733
GLY6
4.513
HIS10
3.528
ASN11
3.121
GLY12
4.588
HIS15
2.979
TRP16
2.372
LYS18
3.367
ASP19
2.724
PHE20
2.874
GLN92
3.659
HIS94
2.681
HIS96
3.363
GLU106
4.244
|
|||||
| Ligand Name: 1-Hydroxy-2-Sulfanylpyridinium | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase in complex with fragment | PDB:3M1K | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [286] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASF |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BEW or .BEW2 or .BEW3 or :3BEW;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:198 or .A:199 or .A:200 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[(S)-(1-{2-Oxo-2-[(3-Sulfanylpropyl)amino]ethyl}-1h-1,2,3-Triazol-5-Yl)(Phenyl)methyl]-4-Sulfamoylbenzamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II H64C mutant in complex with an in situ formed triazole | PDB:3KNE | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | Yes | [287] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 CAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DAW or .DAW2 or .DAW3 or :3DAW;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:92 or .A:94 or .A:95 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP5
4.944
TYR7
4.222
ASN62
3.366
CYS64
2.318
ALA65
3.504
ASN67
3.455
GLN92
3.716
HIS94
3.263
PHE95
4.902
HIS96
3.295
GLU106
4.077
HIS119
3.384
|
|||||
| Ligand Name: N-[(2z)-1,3-Thiazolidin-2-Ylidene]sulfamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II in complex with novel sulfonamide inhibitor | PDB:3M14 | ||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | No | [288] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASF |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BEV or .BEV2 or .BEV3 or :3BEV;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Azido-N-(2-Sulfanylethyl)ethanamide | Ligand Info | |||||
| Structure Description | Mutant carbonic anhydrase II in complex with an azide and an alkyne | PDB:3KIG | ||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | Yes | [287] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GCAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASF |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DA9 or .DA92 or .DA93 or :3DA9;style chemicals stick;color identity;select .A:3 or .A:5 or .A:6 or .A:7 or .A:11 or .A:60 or .A:61 or .A:62 or .A:63 or .A:64 or .A:169 or .A:170 or .A:230 or .A:231 or .A:232 or .A:235 or .A:238; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 3-Ethynylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Mutant carbonic anhydrase II in complex with an azide and an alkyne | PDB:3KIG | ||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | Yes | [287] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GCAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASF |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DA4 or .DA42 or .DA43 or :3DA4;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Phenyl N-Sulfamoylmorpholine-4-Carboximidoate | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II in complex with novel sulfonamide inhibitor | PDB:3M04 | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [289] |
| PDB Sequence |
WGYGKHNGPE
14 HWHKDFPIAK24 GERQSPVDID34 THTAKYDPSL44 KPLSVSYDQA54 TSLRILNNGH 64 AFNVEFDDSQ74 DKAVLKGGPL84 DGTYRLIQFH94 FHWGSLDGQG104 SEHTVDKKKY 114 AAELHLVHWN124 TKYGDFGKAV135 QQPDGLAVLG145 IFLKVGSAKP155 GLQKVVDVLD 165 SIKTKGKSAD175 FTNFDPRGLL185 PESLDYWTYP195 GSLTTPPLLE205 CVTWIVLKEP 215 ISVSSEQVLK225 FRKLNFNGEG235 EPEELMVDNW245 RPAQPLKNRQ255 IKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BE9 or .BE92 or .BE93 or :3BE9;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 3-Methylbenzohydrazide | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with fragment. | PDB:6RM1 | ||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | No | [24] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .45L or .45L2 or .45L3 or :345L;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-(2-sulfanylethyl)benzamide | Ligand Info | |||||
| Structure Description | Fragment tethered to Carbonic Anhydrase II H64C mutant | PDB:3M2Z | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [290] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GCAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASF |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BFE or .BFE2 or .BFE3 or :3BFE;style chemicals stick;color identity;select .A:3 or .A:5 or .A:6 or .A:7 or .A:11 or .A:63 or .A:64 or .A:170 or .A:231 or .A:232 or .A:236 or .A:239; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[(R)-[(3,4-Dimethoxyphenyl)amino](Phenoxy)methyl]sulfamide | Ligand Info | |||||
| Structure Description | Carbonic Anhydrase II in complex with novel sulfonamide inhibitor | PDB:3M2X | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [291] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BEX or .BEX2 or .BEX3 or :3BEX;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
3.816
TYR7
4.817
ASN62
3.676
HIS64
3.485
ALA65
3.740
ASN67
4.271
ILE91
3.790
GLN92
3.787
HIS94
3.164
HIS96
3.307
GLU106
3.911
|
|||||
| Ligand Name: 3,3-Diphenyl-N-(2-Sulfanylethyl)propanamide | Ligand Info | |||||
| Structure Description | Fragment tethered to Carbonic Anhydrase II H64C mutant | PDB:3M5T | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [292] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 CAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BFG or .BFG2 or .BFG3 or :3BFG;style chemicals stick;color identity;select .A:5 or .A:62 or .A:63 or .A:64 or .A:67 or .A:92 or .A:94 or .A:121 or .A:131 or .A:135 or .A:198 or .A:200 or .A:201 or .A:202 or .A:204; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Carborane closo-butyl-sulfonamide | Ligand Info | |||||
| Structure Description | Closo-carborane butyl-sulfonamide in complex with CA IX mimic | PDB:6YZN | ||||
| Method | X-ray diffraction | Resolution | 0.95 Å | Mutation | Yes | [293] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q3Q or .Q3Q2 or .Q3Q3 or :3Q3Q;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Carborane closo-pentyl-sulfonamide | Ligand Info | |||||
| Structure Description | Carborane closo-pentyl-sulfonamide in complex with CA IX mimic | PDB:6YZK | ||||
| Method | X-ray diffraction | Resolution | 0.99 Å | Mutation | Yes | [293] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q3N or .Q3N2 or .Q3N3 or :3Q3N;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Carborane nido-pentyl-sulfonamide | Ligand Info | |||||
| Structure Description | Carborane nido-pentyl-sulfonamide in complex with CA II | PDB:6YZU | ||||
| Method | X-ray diffraction | Resolution | 1.00 Å | Mutation | No | [293] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q38 or .Q382 or .Q383 or :3Q38;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Carborane nido-pentyl-sulfonamide | Ligand Info | |||||
| Structure Description | Carborane nido-pentyl-sulfonamide in complex with CA II | PDB:6YZU | ||||
| Method | X-ray diffraction | Resolution | 1.00 Å | Mutation | No | [293] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q4B or .Q4B2 or .Q4B3 or :3Q4B;style chemicals stick;color identity;select .A:4 or .A:5 or .A:10 or .A:11 or .A:12 or .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Carborane closo-hexyl-sulfonamide | Ligand Info | |||||
| Structure Description | Carborane closo-hexyl-sulfonamide in complex with CA II | PDB:6YZW | ||||
| Method | X-ray diffraction | Resolution | 1.03 Å | Mutation | No | [293] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q3K or .Q3K2 or .Q3K3 or :3Q3K;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Carborane nido-butyl-sulfonamide | Ligand Info | |||||
| Structure Description | Nido-carborane butyl-sulfonamide in complex with CA IX mimic | PDB:6Z04 | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | Yes | [293] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q3W or .Q3W2 or .Q3W3 or :3Q3W;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:201 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Carborane propyl-sulfonamide | Ligand Info | |||||
| Structure Description | Closo-carborane propyl-sulfonamide in complex with CA II | PDB:6YZT | ||||
| Method | X-ray diffraction | Resolution | 1.05 Å | Mutation | No | [293] |
| PDB Sequence |
HHWGYGKHNG
10 PEHWHKDFPI20 AKGERQSPVD30 IDTHTAKYDP40 SLKPLSVSYD50 QATSLRILNN 60 GHAFNVEFDD70 SQDKAVLKGG80 PLDGTYRLIQ90 FHFHWGSLDG100 QGSEHTVDKK 110 KYAAELHLVH120 WNTKYGDFGK130 AVQQPDGLAV140 LGIFLKVGSA150 KPGLQKVVDV 160 LDSIKTKGKS170 ADFTNFDPRG180 LLPESLDYWT190 YPGSLTTPPL200 LECVTWIVLK 210 EPISVSSEQV220 LKFRKLNFNG230 EGEPEELMVD240 NWRPAQPLKN250 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q3E or .Q3E2 or .Q3E3 or :3Q3E;style chemicals stick;color identity;select .A:60 or .A:65 or .A:90 or .A:92 or .A:94 or .A:104 or .A:117 or .A:119 or .A:128 or .A:140 or .A:194 or .A:195 or .A:196 or .A:197 or .A:198 or .A:199 or .A:206; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Carborane nido-hexyl-sulfonamide | Ligand Info | |||||
| Structure Description | Carborane nido-hexyl-sulfonamide in complex with CA II | PDB:6YZX | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [293] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q3H or .Q3H2 or .Q3H3 or :3Q3H;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Metala-Carborane di-ethyl-sulfonamide | Ligand Info | |||||
| Structure Description | Metala-Carborane di-ethyl-sulfonamide (cis isomer) in complex with CA IX mimic | PDB:6YKH | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | Yes | [294] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OWK or .OWK2 or .OWK3 or :3OWK;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:65 or .A:66 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP5
2.920
ASN62
1.580
HIS64
3.775
SER65
3.812
PHE66
4.946
GLN67
3.575
LEU91
4.462
GLN92
2.995
HIS94
3.097
HIS96
3.325
GLU106
4.193
|
|||||
| Ligand Name: Nidocarborane | Ligand Info | |||||
| Structure Description | Nidocarborane inhibitor of Carbonic Anhydrase IX | PDB:6T9Z | ||||
| Method | X-ray diffraction | Resolution | 1.12 Å | Mutation | Yes | [295] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MYW or .MYW2 or .MYW3 or :3MYW;style chemicals stick;color identity;select .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:201 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Meta-Nidocarborane propyl-sulfonamide | Ligand Info | |||||
| Structure Description | Meta-Nidocarborane propyl-sulfonamide in complex with CA IX mimic | PDB:6YOL | ||||
| Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | Yes | [296] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P5T or .P5T2 or .P5T3 or :3P5T;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:201 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Ortho-Carborane di-propyl-sulfonamide | Ligand Info | |||||
| Structure Description | Ortho-Carborane di-propyl-sulfonamide in complex with CA IX mimic | PDB:6YO7 | ||||
| Method | X-ray diffraction | Resolution | 1.17 Å | Mutation | Yes | [296] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P7Z or .P7Z2 or .P7Z3 or :3P7Z;style chemicals stick;color identity;select .A:5 or .A:64 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: CA IX mimic | Ligand Info | |||||
| Structure Description | Metala-Carborane di-ethyl-sulfonamide (trans isomer) in complex with CA IX mimic | PDB:6YKC | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [294] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OY5 or .OY52 or .OY53 or :3OY5;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP5
4.454
ASN62
3.113
HIS64
4.768
SER65
4.950
GLN67
3.375
LEU91
4.204
GLN92
2.718
HIS94
3.181
HIS96
3.218
GLU106
3.857
HIS119
3.130
VAL121
3.656
|
|||||
| Ligand Name: Carborane ethyl-sulfonamide | Ligand Info | |||||
| Structure Description | Closo-carborane ethyl-sulfonamide in complex with CA IX mimic | PDB:6YZJ | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [293] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q2Z or .Q2Z2 or .Q2Z3 or :3Q2Z;style chemicals stick;color identity;select .A:64 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Carborane methyl-sulfonamide | Ligand Info | |||||
| Structure Description | Closo-carborane methyl-sulfonamide in complex with CA IX mimic | PDB:6YZL | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [293] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q3T or .Q3T2 or .Q3T3 or :3Q3T;style chemicals stick;color identity;select .A:64 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: Meta-Carborane di-propyl-sulfonamide | Ligand Info | |||||
| Structure Description | Meta-Carborane di-propyl-sulfonamide in complex with CA IX mimic | PDB:6YOI | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [296] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P7H or .P7H2 or .P7H3 or :3P7H;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Meta-Carborane propyl-sulfonamide | Ligand Info | |||||
| Structure Description | Meta-Carborane propyl-sulfonamide in complex with CA IX mimic | PDB:6YO2 | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [296] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P6Q or .P6Q2 or .P6Q3 or :3P6Q;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Metala-Carborane di-ethyl-sulfonamide | Ligand Info | |||||
| Structure Description | Metala-Carborane di-ethyl-sulfonamide (trans isomer) in complex with CA IX mimic | PDB:6YKC | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | Yes | [294] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OY8 or .OY82 or .OY83 or :3OY8;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TRP5
2.844
ASN62
1.502
HIS64
3.393
SER65
3.726
GLN67
3.073
LEU91
4.878
GLN92
2.458
HIS94
3.194
HIS96
3.325
GLU106
4.152
HIS119
3.466
|
|||||
| Ligand Name: Para-Carborane di-propyl-sulfonamide | Ligand Info | |||||
| Structure Description | Para-Carborane di-propyl-sulfonamide in complex with CA IX mimic | PDB:6YOK | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | Yes | [296] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P82 or .P822 or .P823 or :3P82;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: ~{N}'-(4-iodophenyl)-~{N}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid | Ligand Info | |||||
| Structure Description | 4-(2-(3-(4-iodophenyl)selenoureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II | PDB:7BHH | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [297] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TN8 or .TN82 or .TN83 or :3TN8;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: p-(5-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with p-(5-ferrocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide | PDB:3P3H | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [180] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 LECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .84A or .84A2 or .84A3 or :384A;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Metala-Carborane di-propyl-sulfonamide | Ligand Info | |||||
| Structure Description | Metala-Carborane di-propyl-sulfonamide | PDB:6YJ3 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [294] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHSFQVTFDD72 SQDKAVLKGG82 PLDGTYRLLQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDVGK132 AVQQPDGLAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTEGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSLTTPPL202 AECVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKN252 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OSW or .OSW2 or .OSW3 or :3OSW;style chemicals stick;color identity;select .A:3 or .A:4 or .A:5 or .A:10 or .A:11 or .A:15 or .A:16 or .A:18 or .A:19 or .A:20 or .A:62 or .A:64 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS3
3.335
HIS4
3.875
TRP5
4.429
HIS10
3.300
ASN11
3.986
HIS15
3.657
TRP16
4.574
LYS18
2.837
ASP19
3.679
PHE20
4.922
ASN62
3.353
HIS64
4.649
GLN67
3.479
LEU91
4.007
GLN92
3.698
HIS94
3.213
|
|||||
| Ligand Name: chloro[(phenylsulfonyl){[4-(4-sulfamoylphenyl)pyridin-2-yl-kappaN]methyl}azanide-kappaN][(1,2,3,4,5-eta)-1,2,3,4-tetramethyl-5-propylcyclopentadienyl]iridium | Ligand Info | |||||
| Structure Description | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | PDB:5BRU | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [298] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK132 AVQQPDGMAV142 LGIFLKVGSA152 KPGLQKVVDV 162 LDSIKTKGKS172 ADFTNFDPRG182 LLPESLDYWT192 YPGSMTTPPL202 LESVTWIVLK 212 EPISVSSEQV222 LKFRKLNFNG232 EGEPEELMVD242 NWRPAQPLKL252 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8TH or .8TH2 or .8TH3 or :38TH;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: p-(5-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide | Ligand Info | |||||
| Structure Description | Human carbonic anhydrase II in complex with p-(5-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide | PDB:3P3J | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [180] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTKGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLL203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .498 or .4982 or .4983 or :3498;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:203 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Para-Carborane propyl-sulfonamide | Ligand Info | |||||
| Structure Description | Para-Carborane propyl-sulfonamide in complex with CA IX mimic | PDB:6YO4 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [296] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P8B or .P8B2 or .P8B3 or :3P8B;style chemicals stick;color identity;select .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: cobaltcarborane | Ligand Info | |||||
| Structure Description | Metalacarborane inhibitors of Carbonic Anhydrase IX | PDB:5OGN | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [299] |
| PDB Sequence |
HHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHSFQVTFD71 DSQDKAVLKG81 GPLDGTYRLL91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDVG131 KAVQQPDGLA141 VLGIFLKVGS151 AKPGLQKVVD 161 VLDSIKTEGK171 SADFTNFDPR181 GLLPESLDYW191 TYPGSLTTPP201 LAECVTWIVL 211 KEPISVSSEQ221 VLKFRKLNFN231 GEGEPEELMV241 DNWRPAQPLK251 NRQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B8B or .B8B2 or .B8B3 or :3B8B;style chemicals stick;color identity;select .A:3 or .A:5 or .A:62 or .A:64 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS3
3.175
TRP5
3.872
ASN62
4.185
HIS64
3.596
GLN67
4.198
LEU91
3.902
GLN92
3.605
HIS94
3.152
HIS96
3.238
GLU106
4.170
HIS119
3.399
VAL121
3.749
|
|||||
| Ligand Name: cobaltcarborane | Ligand Info | |||||
| Structure Description | Metalacarborane inhibitors of Carbonic Anhydrase IX | PDB:5OGP | ||||
| Method | X-ray diffraction | Resolution | 1.10 Å | Mutation | No | [299] |
| PDB Sequence |
SHHWGYGKHN
11 GPEHWHKDFP21 IAKGERQSPV31 DIDTHTAKYD41 PSLKPLSVSY51 DQATSLRILN 61 NGHSFQVVFD71 DSQDKAVLKG81 GPLDGTYRLL91 QFHFHWGSLD101 GQGSEHTVDK 111 KKYAAELHLV121 HWNTKYGDVG131 KAVQQPDGLA141 VLGIFLKVGS151 AKPGLQKVVD 161 VLDSIKTKGK171 SADFTNFDPR181 GLLPESLDYW191 TYPGSLTTPP201 LAECVTWIVL 211 KEPISVSSEQ221 VVKFRKLNFN231 GEGEPEELMV241 DNWRPAQPLK251 NRQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9UK or .9UK2 or .9UK3 or :39UK;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.737
ASN62
3.511
HIS64
4.716
GLN67
3.576
LEU91
4.073
GLN92
3.395
HIS94
3.169
HIS96
3.274
GLU106
4.012
HIS119
3.353
VAL121
3.785
|
|||||
| Ligand Name: 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane | Ligand Info | |||||
| Structure Description | Structure-assisted design of carborane-based inhibitors of carbonic anhydrase | PDB:4Q78 | ||||
| Method | X-ray diffraction | Resolution | 1.00 Å | Mutation | No | [300] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .25X or .25X2 or .25X3 or :325X;style chemicals stick;color identity;select .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane | Ligand Info | |||||
| Structure Description | Meta Carborane Carbonic Anhydrase Inhibitor | PDB:4MDL | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [301] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .25Y or .25Y2 or .25Y3 or :325Y;style chemicals stick;color identity;select .A:62 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane | Ligand Info | |||||
| Structure Description | Nido-Carborane Carbonic Anhydrase Inhibitor | PDB:4MDM | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [301] |
| PDB Sequence |
HHWGYGKHNG
12 PEHWHKDFPI22 AKGERQSPVD32 IDTHTAKYDP42 SLKPLSVSYD52 QATSLRILNN 62 GHAFNVEFDD72 SQDKAVLKGG82 PLDGTYRLIQ92 FHFHWGSLDG102 QGSEHTVDKK 112 KYAAELHLVH122 WNTKYGDFGK133 AVQQPDGLAV143 LGIFLKVGSA153 KPGLQKVVDV 163 LDSIKTKGKS173 ADFTNFDPRG183 LLPESLDYWT193 YPGSLTTPPL203 LECVTWIVLK 213 EPISVSSEQV223 LKFRKLNFNG233 EGEPEELMVD243 NWRPAQPLKN253 RQIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .26E or .26E2 or .26E3 or :326E;style chemicals stick;color identity;select .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol | Ligand Info | |||||
| Structure Description | Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor | PDB:4ZWY | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [257] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4SN or .4SN2 or .4SN3 or :34SN;style chemicals stick;color identity;select .A:5 or .A:20 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:132 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
2.792
PHE20
3.332
GLN92
4.090
HIS94
3.257
HIS96
3.348
GLU106
3.971
HIS119
3.202
VAL121
3.939
PHE131
2.869
GLY132
3.587
VAL135
3.922
|
|||||
| Ligand Name: 1-[3-nitro-2-oxidanyl-5-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]sulfonyl-phenyl]-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]urea | Ligand Info | |||||
| Structure Description | Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines. | PDB:6EEH | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | Yes | [269] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVTFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTEGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLA204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J4D or .J4D2 or .J4D3 or :3J4D;style chemicals stick;color identity;select .A:5 or .A:7 or .A:20 or .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:132 or .A:133 or .A:135 or .A:136 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:204 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
2.790
TYR7
4.990
PHE20
3.607
ASN62
2.884
HIS64
3.094
SER65
3.519
GLN67
2.652
LEU91
4.045
GLN92
3.677
HIS94
3.107
HIS96
3.245
GLU106
3.986
HIS119
3.405
VAL121
3.839
ASP130
3.609
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Carborane inhibitor | Ligand Info | |||||
| Structure Description | Carborane inhibitor of Carbonic Anhydrase IX | PDB:6T7U | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [295] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HSFQVVFDDS73 QDKAVLKGGP83 LDGTYRLLQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDVGKA133 VQQPDGLAVL143 GIFLKVGSAK153 PGLQKVVDVL 163 DSIKTEGKSA173 DFTNFDPRGL183 LPESLDYWTY193 PGSLTTPPLA203 ECVTWIVLKE 213 PISVSSEQVL223 KFRKLNFNGE233 GEPEELMVDN243 WRPAQPLKNR253 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X33 or .X332 or .X333 or :3X33;style chemicals stick;color identity;select .A:64 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:134 or .A:140 or .A:142 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:208; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Hexafluorophosphate anion | Ligand Info | |||||
| Structure Description | Carbonic anhydrase II in complex with activating histamine pyridinium derivative | PDB:5W8B | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [264] |
| PDB Sequence |
HWGYGKHNGP
13 EHWHKDFPIA23 KGERQSPVDI33 DTHTAKYDPS43 LKPLSVSYDQ53 ATSLRILNNG 63 HAFNVEFDDS73 QDKAVLKGGP83 LDGTYRLIQF93 HFHWGSLDGQ103 GSEHTVDKKK 113 YAAELHLVHW123 NTKYGDFGKA134 VQQPDGLAVL144 GIFLKVGSAK154 PGLQKVVDVL 164 DSIKTKGKSA174 DFTNFDPRGL184 LPESLDYWTY194 PGSLTTPPLL204 ECVTWIVLKE 214 PISVSSEQVL224 KFRKLNFNGE234 GEPEELMVDN244 WRPAQPLKNR254 QIKASFK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .A9J or .A9J2 or .A9J3 or :3A9J;style chemicals stick;color identity;select .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:207 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Famotidine, an Antiulcer Agent, Strongly Inhibits Helicobacter pylori and Human Carbonic Anhydrases. ACS Med Chem Lett. 2018 Sep 4;9(10):1035-1038. | ||||
| REF 2 | High-resolution structure of human carbonic anhydrase II complexed with acetazolamide reveals insights into inhibitor drug design. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2009 Oct 1;65(Pt 10):992-5. | ||||
| REF 3 | Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors. Sci Rep. 2019 Sep 3;9(1):12710. | ||||
| REF 4 | Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors. Chem Commun (Camb). 2012 May 28;48(43):5259-61. | ||||
| REF 5 | Structural elucidation of the hormonal inhibition mechanism of the bile acid cholate on human carbonic anhydrase II. Acta Crystallogr D Biol Crystallogr. 2014 Jun;70(Pt 6):1758-63. | ||||
| REF 6 | Neutron structure of human carbonic anhydrase II in complex with methazolamide: mapping the solvent and hydrogen-bonding patterns of an effective clinical drug. IUCrJ. 2016 Jul 22;3(Pt 5):319-325. | ||||
| REF 7 | Carbonic anhydrase inhibitors: inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides--solution and crystallographic studies. Bioorg Med Chem Lett. 2007 Aug 1;17(15):4201-7. | ||||
| REF 8 | Carbonic anhydrase activators. Activation of isoforms I, II, IV, VA, VII, and XIV with L- and D-phenylalanine and crystallographic analysis of their adducts with isozyme II: stereospecific recognition within the active site of an enzyme and its consequences for the drug design. J Med Chem. 2006 May 18;49(10):3019-27. | ||||
| REF 9 | Benzyl alcohol inhibits carbonic anhydrases by anchoring to the zinc coordinated water molecule. Biochem Biophys Res Commun. 2021 Apr 9;548:217-221. | ||||
| REF 10 | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases. J Med Chem. 2009 Oct 22;52(20):6421-32. | ||||
| REF 11 | Carbonic anhydrase activators: L-Adrenaline plugs the active site entrance of isozyme II, activating better isoforms I, IV, VA, VII, and XIV. Bioorg Med Chem Lett. 2007 Feb 1;17(3):628-35. | ||||
| REF 12 | N-hydroxyurea--a versatile zinc binding function in the design of metalloenzyme inhibitors. Bioorg Med Chem Lett. 2006 Aug 15;16(16):4316-20. | ||||
| REF 13 | Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II "selective" inhibitor celecoxib. Bioorg Med Chem Lett. 2006 Jan 15;16(2):437-42. | ||||
| REF 14 | Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition. J Med Chem. 2004 Jan 29;47(3):550-7. | ||||
| REF 15 | Positions of His-64 and a bound water in human carbonic anhydrase II upon binding three structurally related inhibitors. Protein Sci. 1994 Jan;3(1):118-25. | ||||
| REF 16 | carbonic anhydrase II in complex with trichloromethiazide as sulfonamide inhibitor | ||||
| REF 17 | Carbonic anhydrase catalyzes cyanamide hydration to urea: is it mimicking the physiological reaction?. J Biol Inorg Chem. 1999 Oct;4(5):528-36. | ||||
| REF 18 | Novel Binding Mode of Hydroxamate Inhibitors to Human Carbonic Anhydrase II | ||||
| REF 19 | Carbonic anhydrase activators: X-ray crystallographic and spectroscopic investigations for the interaction of isozymes I and II with histamine. Biochemistry. 1997 Aug 26;36(34):10384-92. | ||||
| REF 20 | Catechols: a new class of carbonic anhydrase inhibitors. Chem Commun (Camb). 2020 Nov 4;56(85):13033-13036. | ||||
| REF 21 | Carbonic anhydrase II in complex with carboxylic acid-based inhibitors. Acta Crystallogr F Struct Biol Commun. 2019 Mar 1;75(Pt 3):166-170. | ||||
| REF 22 | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg Med Chem. 2013 Nov 15;21(22):7210-5. | ||||
| REF 23 | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules. 2020 Mar 27;10(4):509. | ||||
| REF 24 | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules. 2020 Mar 29;10(4):518. | ||||
| REF 25 | Atomic resolution structure of Human Carbonic Anhydrase II in complex with furosemide | ||||
| REF 26 | Polypharmacology of epacadostat: a potent and selective inhibitor of the tumor associated carbonic anhydrases IX and XII. Chem Commun (Camb). 2019 May 14;55(40):5720-5723. | ||||
| REF 27 | Structure of a 129Xe-cryptophane biosensor complexed with human carbonic anhydrase II. J Am Chem Soc. 2008 Jun 4;130(22):6942-3. | ||||
| REF 28 | Structural insight into the inhibition of carbonic anhydrase by the COX-2-selective inhibitor polmacoxib (CG100649). Biochem Biophys Res Commun. 2016 Sep 9;478(1):1-6. | ||||
| REF 29 | Carbonic anhydrase inhibitors. Interaction of the antiepileptic drug sulthiame with twelve mammalian isoforms: kinetic and X-ray crystallographic studies. Bioorg Med Chem Lett. 2007 Sep 1;17(17):4866-72. | ||||
| REF 30 | 2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity. J Med Chem. 2006 Dec 28;49(26):7683-96. | ||||
| REF 31 | Crystal structure of human carbonic anhydrase II at 1.95 A resolution in complex with 667-coumate, a novel anti-cancer agent. Biochem J. 2005 Feb 1;385(Pt 3):715-20. | ||||
| REF 32 | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J Med Chem. 2016 May 12;59(9):4245-56. | ||||
| REF 33 | Structural analysis of charge discrimination in the binding of inhibitors to human carbonic anhydrases I and II. J Am Chem Soc. 2007 May 2;129(17):5528-37. | ||||
| REF 34 | The refined atomic structure of carbonic anhydrase II at 1.05 A resolution: implications of chemical rescue of proton transfer. Acta Crystallogr D Biol Crystallogr. 2003 Jan;59(Pt 1):93-104. | ||||
| REF 35 | Azobenzene-based inhibitors of human carbonic anhydrase II. Beilstein J Org Chem. 2015 Jul 7;11:1129-35. | ||||
| REF 36 | The Promiscuous Nature of Althiazide in Adducts with CA II and CA IX Mimic | ||||
| REF 37 | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds | ||||
| REF 38 | Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative. J Struct Biol. 2019 Feb 1;205(2):147-154. | ||||
| REF 39 | Effect of donor atom identity on metal-binding pharmacophore coordination. J Biol Inorg Chem. 2017 Jun;22(4):605-613. | ||||
| REF 40 | Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV. J Med Chem. 2011 Jun 9;54(11):3977-81. | ||||
| REF 41 | Room temperature crystal structure of human carbonic anhydrase II in complex with thiophene-2-sulfonamide | ||||
| REF 42 | Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination. J Med Chem. 2016 Mar 10;59(5):2192-204. | ||||
| REF 43 | Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties. Biochemistry. 2009 Feb 17;48(6):1322-31. | ||||
| REF 44 | Crystal structure of the complex between human carbonic anhydrase II and the aromatic inhibitor 1,2,4-triazole. J Mol Biol. 1993 Jul 5;232(1):9-14. | ||||
| REF 45 | Carbonic anhydrase activators. Activation of isozymes I, II, IV, VA, VII, and XIV with l- and d-histidine and crystallographic analysis of their adducts with isoform II: engineering proton-transfer processes within the active site of an enzyme. Chemistry. 2006 Sep 18;12(27):7057-66. | ||||
| REF 46 | Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule. J Med Chem. 2010 Aug 12;53(15):5511-22. | ||||
| REF 47 | Carbonic anhydrase inhibitors: the X-ray crystal structure of the adduct of N-hydroxysulfamide with isozyme II explains why this new zinc binding function is effective in the design of potent inhibitors. Bioorg Med Chem Lett. 2007 May 15;17(10):2795-801. | ||||
| REF 48 | Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-bi... J Med Chem. 2009 Oct 8;52(19):5990-8. | ||||
| REF 49 | carbonic anhydrase II in complex with ethoxzolamidphenole as sulfonamide inhibitor | ||||
| REF 50 | Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of 5-amino-1,3,4-thiadiazole-2-sulfonamide and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide to human isoform II. Bioorg Med Chem Lett. 2006 Dec 15;16(24):6204-8. | ||||
| REF 51 | Carbonic anhydrase inhibitors: binding of indanesulfonamides to the human isoform II. ChemMedChem. 2008 Mar;3(3):473-7. | ||||
| REF 52 | Structures of human carbonic anhydrase II/inhibitor complexes reveal a second binding site for steroidal and nonsteroidal inhibitors. Biochemistry. 2010 Apr 27;49(16):3464-76. | ||||
| REF 53 | Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX. J Med Chem. 2006 Sep 7;49(18):5544-51. | ||||
| REF 54 | Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II. doi:10.1021/ja002627n. | ||||
| REF 55 | Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH. Proteins. 1988;4(4):283-93. | ||||
| REF 56 | Combinatorial computational method gives new picomolar ligands for a known enzyme. Proc Natl Acad Sci U S A. 2002 Feb 5;99(3):1270-3. | ||||
| REF 57 | Carbonic anhydrase activators: X-ray crystal structure of the adduct of human isozyme II with L-histidine as a platform for the design of stronger activators. Bioorg Med Chem Lett. 2005 Dec 1;15(23):5136-41. | ||||
| REF 58 | Structural analysis of inhibitor binding to human carbonic anhydrase II. Protein Sci. 1998 Dec;7(12):2483-9. | ||||
| REF 59 | Unexpected binding mode of the sulfonamide fluorophore 5-dimethylamino-1-naphthalene sulfonamide to human carbonic anhydrase II. Implications for the development of a zinc biosensor. J Biol Chem. 1996 Jan 12;271(2):1003-7. | ||||
| REF 60 | Structure-based design of a sulfonamide probe for fluorescence anisotropy detection of zinc with a carbonic anhydrase-based biosensor. | ||||
| REF 61 | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition. Chem Commun (Camb). 2016 Sep 29;52(80):11983-11986. | ||||
| REF 62 | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew Chem Int Ed Engl. 2017 Mar 27;56(14):3833-3837. | ||||
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